The molecule <smiles>C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC</smiles> <smiles>C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC</smiles> is an iminium ion that is the cationic component of pyronin B. It is also related to or classified as iminium ion .


The molecule <smiles>C(=O)(C(N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)(C(N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A methionine derivative that is the amide obtained by formal condensation of the carboxy group of methionine with the amino group of 2-naphthylamine.   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , methionine derivative .


The molecule <smiles>C([C@@H](CC([O-])=O)OC(CC(CC)O)=O)[N+](C)(C)C</smiles> <smiles>C([C@@H](CC([O-])=O)OC(CC(CC)O)=O)[N+](C)(C)C</smiles> is an O-acyl-L-carnitine in which the acyl group is specified as 3-hydroxyvaleryl. It has the role of human metabolite . Its functional parent is 3-hydroxypentanoic acid . It is also related to or classified as hydroxy-fatty acyl-L-carnitine  .


The molecule <smiles>C(=O)([C@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A D-methionine derivative that is the amide obtained by formal condensation of the carboxy group of D-methionine with the amino group of 2-naphthylamine.  It is also related to or classified as 2-amino-4-(methylsulfanyl)-N-(2-naphthyl)butanamide  . It is also related to or classified as D-methionine derivative .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OC[C@H]5O[C@@H]([C@@H]([C@H]([C@H]5O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OC[C@H]5O[C@@H]([C@@H]([C@H]([C@H]5O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino hexasaccharide comprising a linear pentasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (1->4), (1->3), (1->4), (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino hexasaccharide .


The molecule <smiles>C(=O)([C@@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-methionine derivative that is the amide obtained by formal condensation of the carboxy group of L-methionine with the amino group of 2-naphthylamine.  It is also related to or classified as 2-amino-4-(methylsulfanyl)-N-(2-naphthyl)butanamide  . It is also related to or classified as L-methionine derivative .


The molecule <smiles>C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC.Cl[Fe-](Cl)(Cl)Cl</smiles> <smiles>C1=CC2=C(OC=3C(C=CC(C3)=[N+](CC)CC)=C2)C=C1N(CC)CC.Cl[Fe-](Cl)(Cl)Cl</smiles> is an iminium salt composed of 6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium and tetrachloroferrate ions ia 1:1 ratio. Depending on the mode of manufacture, pyronin B also exists in the form of a chloride salt. It has the role of histological dye . It is also related to or classified as iron coordination entity , iminium salt .


The molecule <smiles>C(=O)([C@@H](N)CSSC[C@@H](C(=O)O)N)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CSSC[C@@H](C(=O)O)N)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-cysteine derivative that is the amide obtained by formal condensation of one of the carboxy groups of L-cystine with the amino group of 2-naphthylamine. Its functional parent is L-cystine .  It is also related to or classified as organic disulfide  .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , dicarboxylic acid monoamide , L-cysteine derivative .


The molecule <smiles>C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)[O-])Cl)O</smiles> <smiles>C(CCCCC)(=O)C1=C(C(=C(C(=C1O)Cl)[O-])Cl)O</smiles> is A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3. It is also related to or classified as phenolate anion .


The molecule <smiles>C(=O)([C@@H](N)CC(O)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CC(O)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-aspartic acid derivative that is the amide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is a conjugate acid of N-(alpha-L-aspartyl)-2-naphthylamine(1-) .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-aspartic acid derivative .


The molecule <smiles>N1([C@@H]2O[C@H](COP([O-])([O-])=O)[C@H](C2)O)C(NC(=O)C(=C1)CO)=O</smiles> <smiles>N1([C@@H]2O[C@H](COP([O-])([O-])=O)[C@H](C2)O)C(NC(=O)C(=C1)CO)=O</smiles> is major structure at pH 7.3. Conjugate base of CHEBI:40113. It is also related to or classified as organophosphate oxoanion , organic molecular entity .


The molecule <smiles>C(C(CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O</smiles> <smiles>C(C(CC1=CC=CC=C1)NC(=O)C=2C=CC=CC2)(=O)O</smiles> is A member of the class of benzamides that is 3-phenylpropanoic acid in which one of the hydrogens at position 2 has been replaced by a benzoylamino group. It is also related to or classified as benzamides , N-acyl-amino acid .


The molecule <smiles>C(=O)([C@@H](N)CS)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CS)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-cysteine derivative that is the amide obtained by formal condensation of the carboxy group of L-cysteine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It has the role of human xenobiotic metabolite .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-cysteine derivative .


The molecule <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S(O)(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1</smiles> <smiles>C1(C2=NC3=C(S2)C(=C(C=C3)C)S(O)(=O)=O)=CC=4SC(C=5C=CC(=CC5)N)=NC4C=C1</smiles> is A member of the class of benzothiazoles that is 2,6'-bi-1,3-benzothiazole substituted at positions 2' 6 and 7 by 4-aminophenyl, methyl and sulfo groups respectively. The monosodium salt is the biological dye 'primuline'. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate . It is also related to or classified as arenesulfonic acid , ring assembly , benzothiazoles , substituted aniline .


The molecule <smiles>C(=O)([C@@H](N)CCC(O)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CCC(O)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-glutamic acid derivative that is the amide obtained by formal condensation of the alpha-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is a conjugate acid of N-(alpha-L-glutamyl)-2-naphthylamine(1-) .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-glutamic acid derivative .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(C)=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO)O)NC(C)=O)NC(C)=O)O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(C)=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO)O)NC(C)=O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A linear amino hexasaccharide comprising a (1->3), (1->4), (1->3), (1->4), (1->3) sequence of N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-alpha-D-galactosamine. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino hexasaccharide .


The molecule <smiles>C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)[O-]</smiles> <smiles>C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)[O-]</smiles> is an L-alpha-amino-acid anion obtained by deprotonation of the carboxy group of N-(gamma-L-glutamyl)-2-naphthylamine. It is also related to or classified as L-alpha-amino acid anion  .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@H]6O[C@@H]([C@@H]([C@H]([C@H]6O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@H]6O[C@@H]([C@@H]([C@H]([C@H]6O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino heptasaccharide comprising a linear hexasaccharide chain of alpha-N-acetylneuraminyl, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->6), (1->4), (1->3), (1->4), (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino heptasaccharide .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)NC(=O)C)O[C@]5(O[C@]([C@H](NC(=O)C)[C@H](C5)O)([C@@H]([C@H](O)CO)O)[H])C(=O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)NC(=O)C)O[C@]5(O[C@]([C@H](NC(=O)C)[C@H](C5)O)([C@@H]([C@H](O)CO)O)[H])C(=O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)O)O</smiles> is A sialodiosylceramide that consists of an alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc moiety attached via a glycosidic bond at position 1 of N-hexadecanoylsphingosine. It is also related to or classified as sialotetraosylceramide .


The molecule <smiles>ClC(C(NCCCCCCCCNC(C(Cl)Cl)=O)=O)Cl</smiles> <smiles>ClC(C(NCCCCCCCCNC(C(Cl)Cl)=O)=O)Cl</smiles> is A carboxamide that is 1,8-diaminooctane in which a hydrogen attached to each of the amino groups has been replaced by a dichloroacetyl group. Inhibitor of aldehyde dehydrogenase 1a2 (ALDH1a2). Inhibits the biosynthesis of retinoic acid from retinol in neonatal and adult murine testis. It down-regulates sex related genes in zebrafish. It has the role of EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor . Its functional parent is dichloroacetic acid . Its functional parent is 1,8-diaminooctane . It is also related to or classified as secondary carboxamide  . It is also related to or classified as organochlorine compound  .


The molecule <smiles>O=C1OC[C@H](CC2=CC=C3OCOC3=C2)\C1=C/C1=CC2=C(OCO2)C=C1</smiles> <smiles>O=C1OC[C@H](CC2=CC=C3OCOC3=C2)\C1=C/C1=CC2=C(OCO2)C=C1</smiles> is A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of anticoronaviral agent . It has the role of T-cell proliferation inhibitor . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as gamma-lactone  . It is also related to or classified as benzodioxoles .


The molecule <smiles>C(=O)([C@@H](N)CCC([O-])=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CCC([O-])=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A gamma-amino-acid anion obtained by deprotonation of the side-chain carboxy group of N-(alpha-L-glutamyl)-2-naphthylamine. It is also related to or classified as gamma-amino acid anion .


The molecule <smiles>C(=O)([C@@H](N)CC([O-])=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CC([O-])=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is A beta-amino-acid anion obtained by deprotonation of the side-chain carboxy group of N-(alpha-L-aspartyl)-2-naphthylamine. It is also related to or classified as beta-amino-acid anion .


The molecule <smiles>[C@H]1(O)[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)OC[C@@H](COC(=O)CCCCCCC)OC(CCCCCCC)=O)O[C@H](CO)[C@@H]([C@@H]1O)O</smiles> <smiles>[C@H]1(O)[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)OC[C@@H](COC(=O)CCCCCCC)OC(CCCCCCC)=O)O[C@H](CO)[C@@H]([C@@H]1O)O</smiles> is A glycolipid that consists of 1,2-dioctanoyl-sn-glycerol having an alpha-D-galactosyl-(1->6)-beta-D-galactosyl residue attached at position 3. It is also related to or classified as glycoglycerolipid , disaccharide derivative .


The molecule <smiles>C(=O)([C@@H](N)CSSC[C@@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)N)NC=3C=CC4=C(C3)C=CC=C4</smiles> <smiles>C(=O)([C@@H](N)CSSC[C@@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)N)NC=3C=CC4=C(C3)C=CC=C4</smiles> is an L-cysteine derivative that is the amide obtained by formal condensation of the carboxy groups of L-cystine with the amino groups from two molecules of 2-naphthylamine. It has the role of chromogenic compound . Its functional parent is L-cystine .  It is also related to or classified as organic disulfide  .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , dicarboxylic acid diamide , L-cysteine derivative .


The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are hexadecanoyl and heptadecanoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)O</smiles> <smiles>C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)O</smiles> is an L-glutamine derivative that is the amide obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is a conjugate acid of N-(gamma-L-glutamyl)-2-naphthylamine(1-) .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-glutamine derivative .


The molecule <smiles>C(=O)([C@@H](N)CCC(N)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CCC(N)=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an L-glutamine derivative that is the amide obtained by formal condensation of the carboxy group of L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-glutamine derivative .


The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCC)=O)OC(CCCCCCC)=O)O)O)O)CO</smiles> <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](COC(CCCCCCC)=O)OC(CCCCCCC)=O)O)O)O)CO</smiles> is A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as octanoyl. Its functional parent is octanoic acid . It is also related to or classified as medium-chain 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  . It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .


The molecule <smiles>N1[C@@H](C[C@H](C1)O)C(=O)NC=2C=CC3=C(C2)C=CC=C3</smiles> <smiles>N1[C@@H](C[C@H](C1)O)C(=O)NC=2C=CC3=C(C2)C=CC=C3</smiles> is an L-proline derivative that is the amide obtained by formal condensation of the carboxy group of trans-4-hydroxy-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound . Its functional parent is trans-4-hydroxy-L-proline .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-proline derivative .


The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@]%13(O[C@]([C@@H]([C@H](C%13)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H]([C@@H](O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO)O)O[C@]%13(O[C@]([C@@H]([C@H](C%13)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H]([C@@H](O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a pentadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues (one of which is at the reducing end) all linked in sequence (1->4), to the mannosyl residue of which are linked (1->3) and (1->6) two N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear hexasaccharide units. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .


The molecule <smiles>C=1(N=CNC1)C[C@@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)N</smiles> <smiles>C=1(N=CNC1)C[C@@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)N</smiles> is an L-histidine derivative that is the amide obtained by formal condensation of the carboxy group of L-histidine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-histidine derivative .


The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-hexadecenyl and (8Z,11Z,14Z)-icosatrienoyl respectively. It has the role of mouse metabolite . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](CO)OC(CCCCCCC)=O)O)O)O)CO</smiles> <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](CO)OC(CCCCCCC)=O)O)O)O)CO</smiles> is A 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol in which the octanoyl group is located at position 2. It is also related to or classified as 3-(beta-D-galactosyl)monooctanoyl-sn-glycerol  .


The molecule <smiles>N(C([C@H]([C@H](CC)C)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>N(C([C@H]([C@H](CC)C)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-isoleucine derivative that is the amide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-isoleucine derivative .


The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-octadecenyl and (8Z,11Z,14Z)-icosatrienoyl respectively. It has the role of mouse metabolite . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>N(C([C@H](CC(C)C)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>N(C([C@H](CC(C)C)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of L-leucine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-leucine derivative .


The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1</smiles> <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1</smiles> is A C-glycosyl compound that is apigenin substituted by beta-D-glucopyranosyl and an alpha-L-arabinopyranosyl moieties at positions 6 and 8 via C-glycosidic linkages. It has the role of antioxidant . It has the role of antinematodal drug . Its functional parent is apigenin . It is also related to or classified as C-glycosyl compound , trihydroxyflavone .


The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](CO/C=C\CCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z,11Z)-octadecadienyl and linoleoyl respectively. It has the role of mouse metabolite . Its functional parent is linoleic acid . It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-octadecenyl and hexadecanoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](CO/C=C\CCCCCC/C=C\CCCCCCCC)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z,9Z)-octadecadienyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> <smiles>P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCCN)O</smiles> is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. It has the role of mouse metabolite . Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid . It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> <smiles>C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as (11Z)-icosenoyl. It has the role of mouse metabolite . Its functional parent is (11Z)-icos-11-enoic acid . It is also related to or classified as sphingomyelin d18:1  . It is also related to or classified as sphingomyelin 38:2  .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)NC(=O)C)O[C@]5(O[C@]([C@H](NC(=O)C)[C@H](C5)O)([C@@H]([C@H](O)CO)O)[H])C(O)=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCCCC)O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)NC(=O)C)O[C@]5(O[C@]([C@H](NC(=O)C)[C@H](C5)O)([C@@H]([C@H](O)CO)O)[H])C(O)=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCCCC)O)O</smiles> is an alpha-NeuNAc-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-NeuNAc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as henicosanoyl. It is also related to or classified as alpha-NeuNAc-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-NeuNAc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer  .


The molecule <smiles>N(C([C@H](CCCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>N(C([C@H](CCCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-lysine derivative that is the amide obtained by formal condensation of the carboxy group of L-lysine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-lysine derivative .


The molecule <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](CO)OC(CCCCCCC)=O)O)O)O)CO[C@@H]2[C@H](O)[C@@H](O)[C@H]([C@H](O2)CO)O</smiles> <smiles>O1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC[C@@H](CO)OC(CCCCCCC)=O)O)O)O)CO[C@@H]2[C@H](O)[C@@H](O)[C@H]([C@H](O2)CO)O</smiles> is A glycoglycerolipid that consists of 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol in which the glycerol portion is acylated at position 2 by an octanoyl group. It is also related to or classified as glycoglycerolipid , disaccharide derivative .


The molecule <smiles>O[C@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]1O)O)CO</smiles> <smiles>O[C@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]1O)O)CO</smiles> is A beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group is specified as octadecanoyl. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as beta-D-galactosyl-(1<->1')-N-acylsphinganine  .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@H]6O[C@@H]([C@@H]([C@H]([C@H]6O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO[C@]%11(O[C@]([C@@H]([C@H](C%11)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)OC[C@H]6O[C@@H]([C@@H]([C@H]([C@H]6O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO[C@]%11(O[C@]([C@@H]([C@H](C%11)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)NC(=O)C)O)NC(C)=O)O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is an undecasaccharide derivative in which two N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl pentasaccharide chains are linked (1->3) and (1->6) to an N-acetyl-alpha-D-galactosamine residue at the reducing end. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino oligosaccharide .


The molecule <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@H](O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])(C(O)=O)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H]([C@H]5O)O)CO)CO)O[C@H]6[C@@H]([C@H]([C@@H](O)[C@H](O6)CO)O[C@H]7[C@@H]([C@@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@H](O)CO)O)[H])C(O)=O)[C@H]([C@H](O7)CO)O)O)NC(C)=O</smiles> <smiles>[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@H](O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])(C(O)=O)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H]([C@H]5O)O)CO)CO)O[C@H]6[C@@H]([C@H]([C@@H](O)[C@H](O6)CO)O[C@H]7[C@@H]([C@@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@H](O)CO)O)[H])C(O)=O)[C@H]([C@H](O7)CO)O)O)NC(C)=O</smiles> is an alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer in which the ceramide N-acyl group is specified as tetracosanoyl. It is also related to or classified as alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer  .


The molecule <smiles>O[C@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@@H]([C@H]1O)O)CO</smiles> <smiles>O[C@H]1[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@@H]([C@H]1O)O)CO</smiles> is A beta-D-galactosyl-(1<->1')-N-acylsphinganine in which the acyl group is specified as (15Z)-tetracosenoyl. It has the role of mouse metabolite . Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as beta-D-galactosyl-(1<->1')-N-acylsphinganine  .


The molecule <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO[C@]%13(O[C@]([C@@H]([C@H](C%13)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H](C(O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> <smiles>[C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO[C@]7(O[C@]([C@@H]([C@H](C7)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@H]([C@@H]([C@H](O%11)CO)O[C@H]%12[C@@H]([C@H]([C@H]([C@H](O%12)CO[C@]%13(O[C@]([C@@H]([C@H](C%13)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O[C@H]%14[C@@H]([C@H]([C@@H](O[C@@H]%14CO)O[C@H]%15[C@@H]([C@H](C(O[C@@H]%15CO)O)NC(C)=O)O)NC(C)=O)O</smiles> is A branched amino oligosaccharide that is a pentadecasaccharide derivative consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked linked (1->3) and (1->6) two N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl linear hexasaccharide units. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .


The molecule <smiles>C(CCCCCCCCCC)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> <smiles>C(CCCCCCCCCC)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is an N-acylsphinganine-1-phosphocholine in which the ceramide N-acyl group is specified as nonadecanoyl. Its functional parent is nonadecanoic acid . It is also related to or classified as N-acylsphinganine-1-phosphocholine  . It is also related to or classified as sphingomyelin 37:0  .


The molecule <smiles>O(C[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]1[C@@H]([C@H]([C@@H](O)[C@@H](CO)O1)O)O</smiles> <smiles>O(C[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]1[C@@H]([C@H]([C@@H](O)[C@@H](CO)O1)O)O</smiles> is A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the 1- and 2-acyl groups are specified as oleoyl and palmitoyl respectively. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .


The molecule <smiles>COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1</smiles> <smiles>COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1</smiles> is A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone. It has the role of platelet aggregation inhibitor . It has the role of bone density conservation agent . Its functional parent is amentoflavone . It is also related to or classified as hydroxyflavone , methoxyflavone , ring assembly , biflavonoid .


The molecule <smiles>O(C[C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[C@H]1[C@@H]([C@H]([C@@H](O)[C@@H](CO)O1)O)O</smiles> <smiles>O(C[C@H](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[C@H]1[C@@H]([C@H]([C@@H](O)[C@@H](CO)O1)O)O</smiles> is A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both linoleoyl (9Z,12Z-octadecadienoyl). It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .


The molecule <smiles>N=1C=CC=C2C1OC=3C2=NC(=NC3N4CCOCC4)C=5C=CC=C(O)C5</smiles> <smiles>N=1C=CC=C2C1OC=3C2=NC(=NC3N4CCOCC4)C=5C=CC=C(O)C5</smiles> is an organic heterotricyclic compound that is pyrido[3',2':4,5]furo[3,2-d]pyrimidine substituted at positions 2 and 4 by 3-hydroxyphenyl and morpholin-4-yl groups respectively. A dual-kinase inhibitor with anti-cancer properties. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of mTOR inhibitor .  It is also related to or classified as phenols  . It is also related to or classified as organic heterotricyclic compound , aromatic amine , morpholines , tertiary amino compound .


The molecule <smiles>[Cl-].C1=CC(C=CC1=[N+](C)C)=C(C=2C=3C=CC=CC3C(=CC2)NCC)C=4C=CC(=CC4)N(C)C</smiles> <smiles>[Cl-].C1=CC(C=CC1=[N+](C)C)=C(C=2C=3C=CC=CC3C(=CC2)NCC)C=4C=CC(=CC4)N(C)C</smiles> is an iminium salt composed of 4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as iminium salt , organic chloride salt .


The molecule <smiles>C1=CC(C=CC1=[N+](C)C)=C(C=2C=3C=CC=CC3C(=CC2)NCC)C=4C=CC(=CC4)N(C)C</smiles> <smiles>C1=CC(C=CC1=[N+](C)C)=C(C=2C=3C=CC=CC3C(=CC2)NCC)C=4C=CC(=CC4)N(C)C</smiles> is an iminium ion that forms the cationic portion of the histological dye 'victoria blue R'. It is also related to or classified as iminium ion .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]([C@H]([C@H](CO)O)O)COP(=O)(O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]([C@H]([C@H](CO)O)O)COP(=O)(O)O</smiles> is A disaccharide phosphate consisting of 2-O-(N-acetyl-beta-D-glucosaminyl)ribitol phosphorylated at O-1 of the ribitol residue; a ligand epitope of Staphylococcus aureus. It has the role of epitope . Its functional parent is 4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-D-ribitol . It is also related to or classified as disaccharide phosphate .


The molecule <smiles>[Na+].C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S([O-])(=O)=O</smiles> <smiles>[Na+].C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S([O-])(=O)=O</smiles> is an organic sodium salt having 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate as the counterion. It is used for staining elastic fibres. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic sodium salt , organosulfonate salt .


The molecule <smiles>[H][C@@]12CC[C@@](C)(O)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)C</smiles> <smiles>[H][C@@]12CC[C@@](C)(O)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)C</smiles> is A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of fragrance . It has the role of apoptosis inducer . It has the role of plant metabolite . It is also related to or classified as labdane diterpenoid .


The molecule <smiles>C1(=C(C2=CNC3=C2C=CC=C3)C(=O)NC1=O)C4=NC(N5CCN(CC5)C)=NC6=C4C=CC=C6</smiles> <smiles>C1(=C(C2=CNC3=C2C=CC=C3)C(=O)NC1=O)C4=NC(N5CCN(CC5)C)=NC6=C4C=CC=C6</smiles> is A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. It has the role of anticoronaviral agent . It has the role of immunosuppressive agent . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It is also related to or classified as indoles , quinazolines , N-alkylpiperazine , N-arylpiperazine , maleimides .


The molecule <smiles>CC1=CC=C(C(=O)NC2CC2)C=C1C3=CC=C(C=C3)C(=O)NCC4CC4</smiles> <smiles>CC1=CC=C(C(=O)NC2CC2)C=C1C3=CC=C(C=C3)C(=O)NCC4CC4</smiles> is A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as benzamides , biphenyls , dicarboxylic acid diamide , cyclopropanes .


The molecule <smiles>O([C@@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O)O)O)O)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]5(O[C@]([C@@H]([C@H](C5)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])C(=O)O)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(C)=O</smiles> <smiles>O([C@@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O)O)O)O)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]5(O[C@]([C@@H]([C@H](C5)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])C(=O)O)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(C)=O</smiles> is A branched amino heptasaccharide consisting of a linear tetrasaccharide of beta-D-galactose, N-acetyl-beta-D-galactosamine, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3), (1->4) and (1->4), to the galactose residue proximal to the reducing end is also linked (2->3) an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl trisaccharide side-chain.  The carbohydrate moiety of ganglioside GT1c. It is also related to or classified as galactosamine oligosaccharide , amino heptasaccharide .


The molecule <smiles>C=1(F)C=CC=CC1NC2=NC3=C(N=C(N=C3)NC4=CC=C(C=C4)OC)N2C5CCCC5</smiles> <smiles>C=1(F)C=CC=CC1NC2=NC3=C(N=C(N=C3)NC4=CC=C(C=C4)OC)N2C5CCCC5</smiles> is A member of the class of purines that is carrying 9-cyclopentyl-9H-purine-2,8-diamine in which the amino groups at positions 2 and 8 are carrying 4-methoxyphenyl and 2-fluorophenyl substituents respectively. It has the role of c-Jun N-terminal kinase inhibitor .      It is also related to or classified as monofluorobenzenes  . It is also related to or classified as cyclopentanes , monomethoxybenzene , purines , substituted aniline , secondary amino compound .


The molecule <smiles>FC=1C=CC(SC2=NN3C(C=C2)=C(C(=O)N=C3)C=4C(Cl)=CC=CC4Cl)=C(C1)F</smiles> <smiles>FC=1C=CC(SC2=NN3C(C=C2)=C(C(=O)N=C3)C=4C(Cl)=CC=CC4Cl)=C(C1)F</smiles> is A member of the class of pyrimidopyridazines that is 6H-pyrimido[1,6-b]pyridazin-6-one substituted at positions 2 and 5 by (2,4-difluorophenyl)sulfanyl and 2,6-dichlorophenyl groups respectively. It has the role of anti-inflammatory drug . It has the role of apoptosis inducer . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as difluorobenzene  . It is also related to or classified as aryl sulfide , pyrimidopyridazine .


The molecule <smiles>C1=CC2=C(C=C1NCCN3CCOCC3)C(=NO2)C4=CC(=C(C=C4O)O)Cl</smiles> <smiles>C1=CC2=C(C=C1NCCN3CCOCC3)C(=NO2)C4=CC(=C(C=C4O)O)Cl</smiles> is A member of the class of 1,2-benzoxazoles carrying 2,4-dihydroxy-4-chlorophenyl and (2-morpholin-4-ylethyl)amino substituents at positions 3 and 5 respectively. It has the role of Hsp90 inhibitor . It is also related to or classified as resorcinols , aromatic amine , morpholines , secondary amino compound , tertiary amino compound , 1,2-benzoxazoles , monochlorobenzenes .


The molecule <smiles>C=1(C(=CC(C=2N=NSC2C3=CC=C(C=C3)OCC)=C(C1)O)Cl)O</smiles> <smiles>C=1(C(=CC(C=2N=NSC2C3=CC=C(C=C3)OCC)=C(C1)O)Cl)O</smiles> is A member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively. It has the role of Hsp90 inhibitor . It is also related to or classified as resorcinols , aromatic ether , thiadiazoles , monochlorobenzenes .


The molecule <smiles>C(C1=CC=C(C=C1)C2=CN=C3NC=C(C4=CC=CC(NC(=O)NC5=CC=CC=C5OC6=CC=CC=C6)=C4)C3=C2)N</smiles> <smiles>C(C1=CC=C(C=C1)C2=CN=C3NC=C(C4=CC=CC(NC(=O)NC5=CC=CC=C5OC6=CC=CC=C6)=C4)C3=C2)N</smiles> is A member of the class of phenylureas obtained by formal condensation of the carboxy group of (3-{5-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl}phenyl)carbamic acid with the amino group of 2-phenoxyaniline. An inhibitor of tyrosine kinase. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It is also related to or classified as phenylureas , aromatic ether , pyrrolopyridine , primary amino compound .


The molecule <smiles>C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S(O)(=O)=O</smiles> <smiles>C=1(C(=CC=CC1)NC=2C=CC(=CC2)\C(=C/3\C=C/C(/C=C3)=N/C=4C=CC=CC4)\C=5C=C(C(=CC5)N)C)S(O)(=O)=O</smiles> is an aminobenzenesulfonic acid that is 2-aminobenzenesulfonic acid in which one of the amino hydrogens is replaced by a 4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl} group. It has the role of fluorochrome . It has the role of histological dye . It is a conjugate acid of 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate . It is also related to or classified as imine  . It is also related to or classified as aminobenzenesulfonic acid , substituted aniline , olefinic compound .


The molecule <smiles>NC1=NC=CN2C1=C(N=C2[C@@]3(C[C@@](C3)(N4CCN(CC4)C)[H])[H])C5=CC6=NC(C7=CC=CC=C7)=CC=C6C=C5</smiles> <smiles>NC1=NC=CN2C1=C(N=C2[C@@]3(C[C@@](C3)(N4CCN(CC4)C)[H])[H])C5=CC6=NC(C7=CC=CC=C7)=CC=C6C=C5</smiles> is A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazin-8-amine carrying additional 2-phenylquinolin-7-yl and 3-(4-methylpiperazin-1-yl)cyclobutyl groups at positions 1 and 3 respectively. It is an inhibitor of insulin growth factor 1 receptor (IGF-1 receptor, IGFR1R) tyrosine kinase. It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of insulin-like growth factor receptor 1 antagonist .   It is also related to or classified as imidazopyrazine  . It is also related to or classified as quinolines , aromatic amine , N-alkylpiperazine , primary amino compound .


The molecule <smiles>C=1(C=CSC1C(OC)=O)NC(CC2=CC=CS2)=O</smiles> <smiles>C=1(C=CSC1C(OC)=O)NC(CC2=CC=CS2)=O</smiles> is A carboxamide resulting from the formal condensation of the carboxy group of 2-thienylacetic acid with the amino group of methyl 3-aminothiophene-2-carboxylate. It is a selective inhibitor of c-Jun N-terminal kinases (JNKs). It has the role of c-Jun N-terminal kinase inhibitor . Its functional parent is 2-thienylacetic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as methyl ester  . It is also related to or classified as thiophenes .


The molecule <smiles>CC=1C=CC(=CC1)N2N=C(C=C2NC(=O)NC3=NC(=CS3)CCOCC=4C=CC=CC4)C(C)(C)C</smiles> <smiles>CC=1C=CC(=CC1)N2N=C(C=C2NC(=O)NC3=NC(=CS3)CCOCC=4C=CC=CC4)C(C)(C)C</smiles> is A member of the class of ureas obtained by formal condensation of the carboxy group of [3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acid with the amino group of 4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-amine. It is also related to or classified as 1,3-thiazoles , N-arylimidazole , ureas , benzyl ether .


The molecule <smiles>CC=1OC(=NN1)C2=CC(=C(C=C2)C3=CC(C(=O)NC4CC4)=CC=C3C)C</smiles> <smiles>CC=1OC(=NN1)C2=CC(=C(C=C2)C3=CC(C(=O)NC4CC4)=CC=C3C)C</smiles> is A member of the class of biphenyls that is biphenyl in which one of the phenyl groups is substituted at positions 2and 4 by a methyl and a 5-methyl-1,3,4-oxadiazol-2-yl groups, respectively, while the other phenyl group is substituted at positions 2 and 5 by a methyl and an N-(cyclopropyl)aminocarbohyl group, respectively. An inhibitor of p38-alpha MAP kinase. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as biphenyls , 1,3,4-oxadiazoles , cyclopropanes , ring assembly .


The molecule <smiles>O=C(NC1=CC(=CC=C1)N2CCOCC2)C3=CC=C(C)C(=C3)C4=CC=C5C(ON=C5C6CCNCC6)=C4</smiles> <smiles>O=C(NC1=CC(=CC=C1)N2CCOCC2)C3=CC=C(C)C(=C3)C4=CC=C5C(ON=C5C6CCNCC6)=C4</smiles> is A biaryl resulting from the formal oxidative coupling of the 6 position of 3-(piperidin-4-yl)-1,2-benzoxazole with the 3 position of p-toluic acid and subsequent condensation of the carboxy group with the primary amino group of 3-(morpholin-4-yl)aniline to give the corresponding carboxamide. An inhibitor of p38-alpha MAP kinase. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as benzamides , piperidines , morpholines , secondary amino compound , 1,2-benzoxazoles , biaryl .


The molecule <smiles>C1COCCN1C=2N=C(N=C(N2)N3CCOCC3)N4C=5C=CC=CC5N=C4C(F)F</smiles> <smiles>C1COCCN1C=2N=C(N=C(N2)N3CCOCC3)N4C=5C=CC=CC5N=C4C(F)F</smiles> is A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor .  It is also related to or classified as organofluorine compound  . It is also related to or classified as benzimidazoles , triamino-1,3,5-triazine , morpholines .


The molecule <smiles>C=1(C(=CC(C2=C(C3=CC=C(C=C3)OC)SN=N2)=C(C1)O)Cl)O</smiles> <smiles>C=1(C(=CC(C2=C(C3=CC=C(C=C3)OC)SN=N2)=C(C1)O)Cl)O</smiles> is A member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively. It has the role of Hsp90 inhibitor . It is also related to or classified as monomethoxybenzene , resorcinols , thiadiazoles , monochlorobenzenes .


The molecule <smiles>[C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O</smiles> <smiles>[C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O</smiles> is A 1,2-diacyl-3-(beta-D-galactosyl)-sn-glycerol in which the 1- and 2- acyl groups are specified as (9Z,12Z,15Z)-octadecatrienoyl and (7Z,10Z,13Z)-hexadecatrienoyl respectively. It has the role of plant metabolite . Its functional parent is all-cis-7,10,13-hexadecatrienoic acid . Its functional parent is alpha-linolenic acid . It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .


The molecule <smiles>C1=CN=C(N=C1NC=2C=C3C=CC=CC3=NC2)NC4=CC=C(N5CCOCC5)C(=C4)OC</smiles> <smiles>C1=CN=C(N=C1NC=2C=C3C=CC=CC3=NC2)NC4=CC=C(N5CCOCC5)C(=C4)OC</smiles> is A member of the class of aminopyrimidines that is pyrimidine-2,4-diamine substituted at positions N-2 and N-4 by 3-methoxy-4-(morpholin-4-yl)phenyl and quinolin-3-yl groups respectively. It has the role of insulin-like growth factor receptor 1 antagonist .  It is also related to or classified as aminoquinoline  . It is also related to or classified as monomethoxybenzene , aminopyrimidine , morpholines , secondary amino compound , tertiary amino compound .


The molecule <smiles>COC1=C(OC)C=C2C=CC(=O)OC2=C1</smiles> <smiles>COC1=C(OC)C=C2C=CC(=O)OC2=C1</smiles> is A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has the role of antihypertensive agent . It has the role of antilipemic drug . It has the role of immunosuppressive agent . It has the role of anti-allergic agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . Its functional parent is esculetin . It is also related to or classified as coumarins , aromatic ether .


The molecule <smiles>[C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(=O)CCCCCCC[C@@H]2[C@@H](C(C=C2)=O)C/C=C\CC)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O</smiles> <smiles>[C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](COC(=O)CCCCCCC[C@@H]2[C@@H](C(C=C2)=O)C/C=C\CC)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O</smiles> is A 1,2-diacyl-3-(beta-D-galactosyl)-sn-glycerol in which the 1- and 2- acyl groups are specified as (9S,13S-12-oxophytodienoyl) and (7Z,10Z,13Z)-hexadecatrienoyl respectively. It has the role of plant metabolite . Its functional parent is (15Z)-12-oxophyto-10,15-dienoic acid . Its functional parent is all-cis-7,10,13-hexadecatrienoic acid . It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  .


The molecule <smiles>C([C@H](CC1=CC=C(C=C1)C=2C(N(C(=CC2C(F)(F)F)C)C)=O)NC(=O)C=3C(=CC=CC3Cl)Cl)(O)=O</smiles> <smiles>C([C@H](CC1=CC=C(C=C1)C=2C(N(C(=CC2C(F)(F)F)C)C)=O)NC(=O)C=3C(=CC=CC3Cl)Cl)(O)=O</smiles> is an L-phenylalanine derivative that is N-(2,6-dichlorobenzoyl)-L-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl substituent at position 4 on the phenyl ring.  It is also related to or classified as organofluorine compound  . It is also related to or classified as N-acyl-L-amino acid , pyridone , L-phenylalanine derivative .


The molecule <smiles>[C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](CO)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O</smiles> <smiles>[C@H]1(O)[C@@H](CO)O[C@H]([C@@H]([C@H]1O)O)OC[C@@H](CO)OC(CCCCC/C=C\C/C=C\C/C=C\CC)=O</smiles> is A 2-acyl-3-(beta-D-galactosyl)-sn-glycerol in which the acyl group at the 2 position is specified as (7Z,10Z,13Z)-hexadecatrienoyl. Its functional parent is all-cis-7,10,13-hexadecatrienoic acid . It is also related to or classified as 2-O-acyl-3-O-beta-D-galactosyl-sn-glycerol  .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]([C@H]([C@H](CO)O)O)CO</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]([C@H]([C@H](CO)O)O)CO</smiles> is an amino disaccharide consisting of N-acetyl-D-glucosamine attached to D-ribitol via a beta-(1->4)-linkage; epitope of Staphylococcus aureus. It has the role of epitope . It is also related to or classified as amino disaccharide .


The molecule <smiles>C([C@@H](CO)OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)OP(=O)(OCCN)O</smiles> <smiles>C([C@@H](CO)OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)OP(=O)(OCCN)O</smiles> is A lysophosphatidylethanolamine 20:3 in which the acyl group is specified as (5Z,8Z,11Z)-icosatrienoyl and is located at position 2. It has the role of mouse metabolite . Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 20:3  .


The molecule <smiles>[C@H]1(CCCN1)C(=O)NC=2C=CC3=C(C2)C=CC=C3</smiles> <smiles>[C@H]1(CCCN1)C(=O)NC=2C=CC3=C(C2)C=CC=C3</smiles> is an L-proline derivative that is the amide obtained by formal condensation of the carboxy group of L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-proline derivative .


The molecule <smiles>N(C([C@H](CCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>N(C([C@H](CCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-ornithine derivative that is the amide obtained by formal condensation of the carboxy group of L-ornithine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as L-ornithine derivative , amino acid amide .


The molecule <smiles>N(C([C@H](CO)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>N(C([C@H](CO)N)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is an L-serine derivative that is the amide obtained by formal condensation of the carboxy group of L-serine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-serine derivative .


The molecule <smiles>N(C([C@H](CC=1C=CC=CC1)N)=O)C=2C=CC3=C(C2)C=CC=C3</smiles> <smiles>N(C([C@H](CC=1C=CC=CC1)N)=O)C=2C=CC3=C(C2)C=CC=C3</smiles> is an L-phenylalanine derivative that is the amide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-phenylalanine derivative .


The molecule <smiles>C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)NC=3C=CC4=C(C3)C=CC=C4)N</smiles> <smiles>C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)NC=3C=CC4=C(C3)C=CC=C4)N</smiles> is an L-tryptophan derivative that is the amide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-tryptophan derivative .


The molecule <smiles>[C@H]1(CCC(N1)=O)C(=O)NC=2C=CC3=C(C2)C=CC=C3</smiles> <smiles>[C@H]1(CCC(N1)=O)C(=O)NC=2C=CC3=C(C2)C=CC=C3</smiles> is an L-proline derivative that is the amide obtained by formal condensation of the carboxy group of 5-oxo-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-proline derivative .


The molecule <smiles>COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1</smiles> <smiles>COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1</smiles> is A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7, 8 and 6' and hydroxy groups at positons 5 and 2' respectively. It has the role of anti-asthmatic drug . It has the role of EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as dihydroxyflavone , tetramethoxyflavone .


The molecule <smiles>N(C([C@H](CC(C)C)N)=O)C=1C=C(C2=C(C1)C=CC=C2)OC</smiles> <smiles>N(C([C@H](CC(C)C)N)=O)C=1C=C(C2=C(C1)C=CC=C2)OC</smiles> is an L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of L-leucine with the amino group of 4-methoxy-2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as amino acid amide , L-leucine derivative , naphthalenes , aromatic ether , aromatic amide .


The molecule <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)[C@H](O)C</smiles> <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)[C@H](O)C</smiles> is an L-threonine derivative that is the amide obtained by formal condensation of the carboxy group of L-threonine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-threonine derivative .


The molecule <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)C(C)C</smiles> <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)C(C)C</smiles> is an L-valine derivative that is the amide obtained by formal condensation of the carboxy group of L-valine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-valine derivative .


The molecule <smiles>C(=O)([C@H](C)N)N[C@H](C(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O)CC=4C=CC=CC4</smiles> <smiles>C(=O)([C@H](C)N)N[C@H](C(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O)CC=4C=CC=CC4</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-phenylalanyl-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as tripeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>N(C(CCN)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>N(C(CCN)=O)C=1C=CC2=C(C1)C=CC=C2</smiles> is A beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , beta-alanine derivative .


The molecule <smiles>C(=O)([C@H](C)N)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)C</smiles> <smiles>C(=O)([C@H](C)N)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)C</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-alanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C=1(C(C2=NC(N)=NC=C2)=C(C)ON1)C3=CC=CC=C3</smiles> <smiles>C=1(C(C2=NC(N)=NC=C2)=C(C)ON1)C3=CC=CC=C3</smiles> is A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively.  It is also related to or classified as isoxazoles  . It is also related to or classified as aminopyrimidine .


The molecule <smiles>N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl</smiles> <smiles>N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl</smiles> is A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as pyridines , phthalazines , secondary amino compound , monochlorobenzenes .


The molecule <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC=3C=CC(=CC3)O</smiles> <smiles>O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC=3C=CC(=CC3)O</smiles> is an L-tyrosine derivative that is the amide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .   It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as amino acid amide , L-tyrosine derivative .


The molecule <smiles>C(CC(O)=O)C(O)=O.N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl</smiles> <smiles>C(CC(O)=O)C(O)=O.N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl</smiles> is A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as succinate salt .


The molecule <smiles>C1=NC=CC(=N1)C2=CC=CC=C2</smiles> <smiles>C1=NC=CC(=N1)C2=CC=CC=C2</smiles> is A biaryl that is pyrimidine substituted at position 4 by a phenyl group. It is also related to or classified as pyrimidines , biaryl .


The molecule <smiles>C1=C(C(=CC=N1)N2CCNCC2)NC(C3=CSC(=N3)N4C(C5=C(C4)C=CC(=C5)OC)=O)=O</smiles> <smiles>C1=C(C(=CC=N1)N2CCNCC2)NC(C3=CSC(=N3)N4C(C5=C(C4)C=CC(=C5)OC)=O)=O</smiles> is an aromatic amide obtained by formal condensation of the amino group of 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-thiazole-4-carboxylic acid with the primary amino group of 4-(piperazin-1-yl)pyridin-3-amine. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as isoindoles , aromatic ether , aminopyridine , 1,3-thiazoles , N-arylpiperazine , aromatic amide , gamma-lactam .


The molecule <smiles>C=1C=2N(N=C(C1)C=3C=NN(C)C3)C(SC4=CC=C5C(=C4)C=CC=N5)=NN2</smiles> <smiles>C=1C=2N(N=C(C1)C=3C=NN(C)C3)C(SC4=CC=C5C(=C4)C=CC=N5)=NN2</smiles> is A member of the class of triazolopyridazines that is 6-(1-methylpyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine-3-thiol in which the thiol hydrogen is replaced by a quinolin-6-yl group. It has the role of nephrotoxic agent . It has the role of c-Met tyrosine kinase inhibitor . It is also related to or classified as pyrazoles , quinolines , aryl sulfide , triazolopyridazine , biaryl .


The molecule <smiles>C=1(C(N)=NON1)C2=NC3=C(C#CC(O)(C)C)N=CC(=C3N2CC)OC[C@@H]4CNCCC4</smiles> <smiles>C=1(C(N)=NON1)C2=NC3=C(C#CC(O)(C)C)N=CC(=C3N2CC)OC[C@@H]4CNCCC4</smiles> is A member of the class of imidazopyridines that is 4-(1-ethylimidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol carrying additional 2-(4-amino-1,2,5-oxadiazol-3-yl and [(3S)-piperidin-3-yl]methoxy substituents at positions 4 and 7 respectively. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor .  It is also related to or classified as tertiary alcohol  .      It is also related to or classified as acetylenic compound  . It is also related to or classified as piperidines , aromatic amine , aromatic ether , 1,2,5-oxadiazole , imidazopyridine , primary amino compound .


The molecule <smiles>N1=CN=C2N(N=C(C=3NC4=C(C3)C=C(C=C4)O)C2=C1N)C(C)C</smiles> <smiles>N1=CN=C2N(N=C(C=3NC4=C(C3)C=C(C=C4)O)C2=C1N)C(C)C</smiles> is A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of mTOR inhibitor . It is also related to or classified as phenols  . It is also related to or classified as aromatic amine , pyrazolopyrimidine , primary amino compound , biaryl , hydroxyindoles .


The molecule <smiles>N1[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC=2C=CC(=CC2)O)C(=O)N)=O)CSSC[C@H]3C(N[C@@H]4C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N5[C@@H](C[C@@H](O)C5)C1=O)=O)CC(N)=O)=O)CSSC[C@@H](C(N[C@H](C(N6[C@@H](C[C@@H](O)C6)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N3)=O)CC(=O)N)=O)CC7=CC=C(C=C7)O)=O)CO)=O)[C@H](O)C)=O)=O)CO)=O)NC([C@@H](NC([C@@H](NC(CNC([C@@H]8C[C@@H](O)CN8C([C@@H](NC([C@@H](NC([C@H](CSSC4)N)=O)CCCCN)=O)CO)=O)=O)=O)CO)=O)CO)=O)=O)CO)=O)CCCNC(N)=N)=O)=O)=O)CCCNC(N)=N)=O)CCCCN)=O)[C@H](O)C)=O)CC9=CC=C(C=C9)O</smiles> <smiles>N1[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC=2C=CC(=CC2)O)C(=O)N)=O)CSSC[C@H]3C(N[C@@H]4C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N5[C@@H](C[C@@H](O)C5)C1=O)=O)CC(N)=O)=O)CSSC[C@@H](C(N[C@H](C(N6[C@@H](C[C@@H](O)C6)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N3)=O)CC(=O)N)=O)CC7=CC=C(C=C7)O)=O)CO)=O)[C@H](O)C)=O)=O)CO)=O)NC([C@@H](NC([C@@H](NC(CNC([C@@H]8C[C@@H](O)CN8C([C@@H](NC([C@@H](NC([C@H](CSSC4)N)=O)CCCCN)=O)CO)=O)=O)=O)CO)=O)CO)=O)=O)CO)=O)CCCNC(N)=N)=O)=O)=O)CCCNC(N)=N)=O)CCCCN)=O)[C@H](O)C)=O)CC9=CC=C(C=C9)O</smiles> is A heterodetic cyclic polypeptide consisting of the linear sequence Cys-Lys-Ser-Hyp-Gly-Ser-Ser-Cys-Ser-Hyp-Thr-Ser-Tyr-Asn-Cys-Cys-Arg-Ser-Cys-Asn-Hyp-Tyr-Thr-Lys-Arg-Cys-Tyr-NH2 with three disulfide bridges between cysteine residues 1-16, 8-19 and 15-26. Isolated from the venom of the fish-hunting snail Conus geographus. It has the role of calcium channel blocker . It has the role of neurotoxin . It has the role of marine metabolite . It has the role of venom .  It is also related to or classified as polypeptide  .  It is also related to or classified as organic disulfide  . It is also related to or classified as peptidyl amide , heterodetic cyclic peptide .


The molecule <smiles>C1=C(C2=CC=C3C(=C2)C4=C(C=CC(N4C5=CC(=CC=C5)C(F)(F)F)=O)C=N3)C=NC(=C1)N</smiles> <smiles>C1=C(C2=CC=C3C(=C2)C4=C(C=CC(N4C5=CC(=CC=C5)C(F)(F)F)=O)C=N3)C=NC(=C1)N</smiles> is A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of mTOR inhibitor . It is also related to or classified as organofluorine compound  . It is also related to or classified as aminopyridine , pyridoquinoline , primary amino compound .


The molecule <smiles>C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].OS(O)(=O)=O</smiles> <smiles>C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)(=O)[H].OS(O)(=O)=O</smiles> is A peptide sulfate salt obtained by combining leupeptin with 0.5 molar equivalents of sulfuric acid. It has the role of serine protease inhibitor . It has the role of cathepsin B inhibitor . It has the role of EC 3.4.21.4 (trypsin) inhibitor . It has the role of calpain inhibitor . It is also related to or classified as peptide sulfate salt .


The molecule <smiles>C=1(N(C=NC1C=2C=CC(=CC2)F)[C@H]3CC[C@@H](CC3)O)C4=NC(OC)=NC=C4</smiles> <smiles>C=1(N(C=NC1C=2C=CC(=CC2)F)[C@H]3CC[C@@H](CC3)O)C4=NC(OC)=NC=C4</smiles> is A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .    It is also related to or classified as secondary alcohol  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as cyclohexanols , imidazoles , aromatic ether , pyrimidines .


The molecule <smiles>OC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O</smiles> <smiles>OC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O</smiles> is A fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets. It has the role of environmental contaminant . Its functional parent is dodecanoic acid . It is also related to or classified as fluoroalkanoic acid .


The molecule <smiles>C1=C2C(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]32[H])C)(NCCCCCCN5C(C=CC5=O)=O)[H])[H])[H])=CC(=C1)OC</smiles> <smiles>C1=C2C(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]32[H])C)(NCCCCCCN5C(C=CC5=O)=O)[H])[H])[H])=CC(=C1)OC</smiles> is an aza-steroid that is 3-O-methyl-17beta-estradiol in which the 17beta-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C. It has the role of EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor . Its functional parent is 17beta-estradiol .  It is also related to or classified as aza-steroid  . It is also related to or classified as aromatic ether , maleimides .


The molecule <smiles>C1=C(F)C=CC(=C1F)OC2=CC3=CN=C(N=C3N(C)C2=O)NC(CCO)CCO</smiles> <smiles>C1=C(F)C=CC(=C1F)OC2=CC3=CN=C(N=C3N(C)C2=O)NC(CCO)CCO</smiles> is A member of the class of pyridopyrimidines that is 8-methylpyrido[2,3-d]pyrimidin-7(8H)-one carrying additional (1,5-dihydroxypentan-3-yl)amino and 2,4-difluorophenoxy substituents at positions 2 and 6 respectively. It is a potent inhibitor of MAPK and is used for treatment of rheumatoid arthritis. It has the role of antirheumatic drug . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as primary alcohol  . It is also related to or classified as diol  .   It is also related to or classified as difluorobenzene  . It is also related to or classified as pyridopyrimidine  . It is also related to or classified as aromatic amine , aromatic ether , secondary amino compound .


The molecule <smiles>C12=C(C(Cl)=CN1)C(=NC=N2)N3CC4=C(CC3)NC=N4</smiles> <smiles>C12=C(C(Cl)=CN1)C(=NC=N2)N3CC4=C(CC3)NC=N4</smiles> is an imidazopyridine that is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine in which the amino hydrogen is replaced by a 5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl group. A potent inhibitor of AKT1 kinase. It has the role of AKT1 kinase inhibitor .  It is also related to or classified as organochlorine compound  . It is also related to or classified as aromatic amine , pyrrolopyrimidine , imidazopyridine , tertiary amino compound .


The molecule <smiles>N1=C(N)N=C2C(=C1Cl)N=CN2CC=3N=CC(C)=C(OC)C3C</smiles> <smiles>N1=C(N)N=C2C(=C1Cl)N=CN2CC=3N=CC(C)=C(OC)C3C</smiles> is A member of the class of 2-aminopurines that is 2-aminopurine which is substituted by a chlorine at position 6 and by a (4-methoxy-3,5-dimethylpyridin-2-yl)methyl group at position 9. It has the role of antineoplastic agent . It has the role of Hsp90 inhibitor . It is also related to or classified as 2-aminopurines  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as pyridines , aromatic ether .


The molecule <smiles>O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2</smiles> <smiles>O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2</smiles> is A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase. It has the role of geroprotector . It has the role of antineoplastic agent . It has the role of c-Jun N-terminal kinase inhibitor . It is also related to or classified as cyclic ketone , aromatic ketone , anthrapyrazole .


The molecule <smiles>N1=C(C2=CC=CC=C2)C=CC3=NN=C(COC4=C5C(C=C(C=C5)OC)=NC=C4)N13</smiles> <smiles>N1=C(C2=CC=CC=C2)C=CC3=NN=C(COC4=C5C(C=C(C=C5)OC)=NC=C4)N13</smiles> is A member of the class of quinolines that is 7-methoxyquinoline substituted at position 4 by a (6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy group. AMG exhibits antitumour activity, particularly in prostate cancer. It has the role of antineoplastic agent . It has the role of c-Met tyrosine kinase inhibitor . It is also related to or classified as quinolines , aromatic ether , triazolopyridazine .


The molecule <smiles>C(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)=O)(=O)[O-]</smiles> <smiles>C(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)=O)(=O)[O-]</smiles> is A polyunsaturated oxo fatty acid anion that is the conjugate base of 11-oxo-ETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as oxo-ETE anion , oxo fatty acid anion , polyunsaturated fatty acid anion .


The molecule <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)O)[O-])(C)C)(C)C</smiles> <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)O)[O-])(C)C)(C)C</smiles> is A member of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3lambda(5)-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl group. It has the role of radical scavenger . It has the role of apoptosis inhibitor . It is a conjugate acid of carboxylato-PTIO . It is also related to or classified as benzoic acid  . It is also related to or classified as organic radical , imidazolines .


The molecule <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)[O-])[O-])(C)C)(C)C</smiles> <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)[O-])[O-])(C)C)(C)C</smiles> is A benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group. It is also related to or classified as benzoates , radical anion .


The molecule <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)[O-])[O-])(C)C)(C)C.[K+]</smiles> <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)[O-])[O-])(C)C)(C)C.[K+]</smiles> is A potassium salt having 2-(4-carboxylatophenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide as the counterion. It has the role of radical scavenger . It has the role of apoptosis inhibitor . It is also related to or classified as potassium salt , organic radical .


The molecule <smiles>S(C=1C=CC(C2=NC(C=3C=CN=CC3)=C(N2)C4=CC=C(C=C4)F)=CC1)(C)=O</smiles> <smiles>S(C=1C=CC(C2=NC(C=3C=CN=CC3)=C(N2)C4=CC=C(C=C4)F)=CC1)(C)=O</smiles> is A member of the class of imidazoles carrying 4-methylsulfinylphenyl, 4-pyridyl and 4-fluorophenyl substituents at positions 2, 4 and 5 respectively. An inhibitor of mitogen-activated protein kinase. It has the role of geroprotector . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of neuroprotective agent . It has the role of Hsp90 inhibitor . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as sulfoxide  .   It is also related to or classified as monofluorobenzenes  . It is also related to or classified as imidazoles , pyridines .


The molecule <smiles>C(/C=C\C=C\[C@H](CCCCCO)O)=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)O</smiles> <smiles>C(/C=C\C=C\[C@H](CCCCCO)O)=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)O</smiles> is A lipoxin anion that is the conjugate base of 20-hydroxylipoxin A4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is lipoxin A4(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as lipoxin anion .


The molecule <smiles>CN(C)C(C(=O)C=1C=2C=C(C(=CC2N(C1)C)Cl)C(=O)N3[C@H](C)CN([C@H](C3)C)CC4=CC=C(F)C=C4)=O</smiles> <smiles>CN(C)C(C(=O)C=1C=2C=C(C(=CC2N(C1)C)Cl)C(=O)N3[C@H](C)CN([C@H](C3)C)CC4=CC=C(F)C=C4)=O</smiles> is an indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group  of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .        It is also related to or classified as monofluorobenzenes  . It is also related to or classified as dicarboxylic acid diamide , N-acylpiperazine , N-alkylpiperazine , indolecarboxamide , chloroindole , aromatic amide , aromatic ketone .


The molecule <smiles>C(=O)([O-])CCCC(/C=C/C=C\C/C=C\C/C=C\CCCCCO)O</smiles> <smiles>C(=O)([O-])CCCC(/C=C/C=C\C/C=C\C/C=C\CCCCCO)O</smiles> is an icosanoid anion that is the conjugate base of 5,20-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as icosanoid anion , polyunsaturated fatty acid anion .


The molecule <smiles>C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H].Cl</smiles> <smiles>C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H].Cl</smiles> is A hydrochloride obtained by combining strychnine with one molar equivalent of hydrogen chloride. It has the role of rodenticide . It has the role of avicide . It has the role of neurotransmitter agent . It has the role of cholinergic antagonist . It has the role of glycine receptor antagonist . It is also related to or classified as hydrochloride , organoammonium salt .


The molecule <smiles>C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\N)\C#N)/N.CCO</smiles> <smiles>C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\N)\C#N)/N.CCO</smiles> is an addition compound obtained by combining equimolar amounts of (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile (U0126) and ethanol. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of vasoconstrictor agent . It has the role of osteogenesis regulator . It has the role of apoptosis inducer . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor . It is also related to or classified as addition compound .


The molecule <smiles>C(\CC(/C=C/C=C\C/C=C\CCCCCO)O)=C\CCCC([O-])=O</smiles> <smiles>C(\CC(/C=C/C=C\C/C=C\CCCCCO)O)=C\CCCC([O-])=O</smiles> is an icosanoid anion that is the conjugate base of 8,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 8-HETE(1-) . It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as icosanoid anion , polyunsaturated fatty acid anion .


The molecule <smiles>S1(=O)(=O)C2=C(C(CC1)(C)C)C=C(\C(=C\C3=CC=C(C(=O)O)C=C3)\C)C(=C2)OCCCCCCC</smiles> <smiles>S1(=O)(=O)C2=C(C(CC1)(C)C)C=C(\C(=C\C3=CC=C(C(=O)O)C=C3)\C)C(=C2)OCCCCCCC</smiles> is A thiochromane that is 3,4-dihydro-2H-1-benzothiopyran S,S-dioxide in which the hydrogens at position 4 are both replaced by methyl groups, the hydrogens at position 7 is replaced by a heptyloxy group, while the hydrogen at position 6 is replaced by a 1-phenylprop-1-en-2-yl group, the phenyl group of which is substituted at the para position by a carboxy group. It is a selective antagonist for retinoic acid receptor alpha. It has the role of apoptosis inducer . It has the role of retinoic acid receptor alpha antagonist .   It is also related to or classified as sulfone  . It is also related to or classified as benzoic acids , aromatic ether , thiochromane .


The molecule <smiles>C(=C\C(C/C=C\CCCCCO)O)/C=C\C/C=C\CCCC(=O)[O-]</smiles> <smiles>C(=C\C(C/C=C\CCCCCO)O)/C=C\C/C=C\CCCC(=O)[O-]</smiles> is an icosanoid anion that is the conjugate base of 12,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 12-HETE(1-) . It is also related to or classified as dihydroxyicosatetraenoate  . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as icosanoid anion , polyunsaturated fatty acid anion .


The molecule <smiles>C(=O)([C@@H](N)CCC(=O)O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCC(=O)O</smiles> <smiles>C(=O)([C@@H](N)CCC(=O)O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCC(=O)O</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamyl-L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C(=O)([C@@H](N)CCC(=O)O)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CCC(=O)O)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamylglycine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>N=1N(C2=C(C1\C=C\C(O)=O)C=CC(=C2)C(F)(F)F)CC3=CC=C(C=C3Cl)Cl</smiles> <smiles>N=1N(C2=C(C1\C=C\C(O)=O)C=CC(=C2)C(F)(F)F)CC3=CC=C(C=C3Cl)Cl</smiles> is A member of the class of indazoles that is 3-(indazol-3-yl}prop-2-enoic acid carrying additional 2,4-dichlorobenzyl and trifluoromethyl substituents at positions 1 and 6 respectively. An orally active antispermatogenic compound with antifertility effects that is a potential male contraceptive drug. It has the role of antispermatogenic agent . It has the role of synthetic oral contraceptive . It has the role of Hsp90 inhibitor . It has the role of eukaryotic translation elongation factor 1alpha 1 inhibitor . Its functional parent is lonidamine . It is also related to or classified as dichlorobenzene  . It is also related to or classified as organofluorine compound  . It is also related to or classified as indazoles , olefinic compound , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C([C@H](/C=C/C=C/C=C/[C@H](CCCC([O-])=O)O)O)/C=C\CCCCCO</smiles> <smiles>C([C@H](/C=C/C=C/C=C/[C@H](CCCC([O-])=O)O)O)/C=C\CCCCCO</smiles> is A leukotriene anion that is the conjugate base of 20-hydroxy-6-trans-leukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 6-trans-leukotriene B4(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as leukotriene anion .


The molecule <smiles>N1(C(C=2C(=CC=CC2C)N=C1CN3C4=C(C(N)=NC=N4)N=C3)=O)C5=C(C)C=CC=C5</smiles> <smiles>N1(C(C=2C(=CC=CC2C)N=C1CN3C4=C(C(N)=NC=N4)N=C3)=O)C5=C(C)C=CC=C5</smiles> is A member of the class of quinazolines that is quinazolin-4(3H)-one carrying (6-amino-9H-purin-9-yl)methyl, 2-methylphenyl and methyl substituents at positions 2, 3 and 5 respectively. It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It is also related to or classified as 6-aminopurines  . It is also related to or classified as quinazolines , biaryl .


The molecule <smiles>C(\C=C/C=C/C=C/[C@H]([C@H](CCCCCO)O)O)=C/[C@H](CCCC([O-])=O)O</smiles> <smiles>C(\C=C/C=C/C=C/[C@H]([C@H](CCCCCO)O)O)=C/[C@H](CCCC([O-])=O)O</smiles> is A lipoxin anion that is the conjugate base of 20-hydroxy-lipoxin B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is lipoxin B4(1-) . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  . It is also related to or classified as lipoxin anion .


The molecule <smiles>NCC(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O</smiles> <smiles>NCC(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycyl-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C(=O)(CCCC(O)=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3</smiles> <smiles>C(=O)(CCCC(O)=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of N-glutaryl-L-phenylalanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .  It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as L-phenylalanine derivative .


The molecule <smiles>C(=O)([C@@H](N)CCC(=O)O)NCC(=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N</smiles> <smiles>C(=O)([C@@H](N)CCC(=O)O)NCC(=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamylglycyl-L-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as tripeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C(=O)(CN)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)(CN)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycylglycine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C(O)([C@@H](N)CCCNC(=N)SC)=O</smiles> <smiles>C(O)([C@@H](N)CCCNC(=N)SC)=O</smiles> is an L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It has the role of neuroprotective agent . It is also related to or classified as L-ornithine derivative , imidothiocarbamic ester , non-proteinogenic L-alpha-amino acid , L-arginine derivative .


The molecule <smiles>N(CC(=O)NC=1C=C(C2=C(C1)C=CC=C2)OC)C([C@@H](NC(=O)C=3C=CC=CC3)C(C)C)=O</smiles> <smiles>N(CC(=O)NC=1C=C(C2=C(C1)C=CC=C2)OC)C([C@@H](NC(=O)C=3C=CC=CC3)C(C)C)=O</smiles> is A dipeptide amide obtained by formal condensation of the carboxy group of N-benzoyl-L-valylglycine with the amino group of 4-methoxy-2-naphthylamine. It has the role of chromogenic compound .    It is also related to or classified as dipeptide  . It is also related to or classified as benzamides , naphthalenes , aromatic ether .


The molecule <smiles>C(C[C@@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N</smiles> <smiles>C(C[C@@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N</smiles> is an N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-L-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .  It is also related to or classified as N-{5-carbamimidamido-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}benzamide  . It is also related to or classified as L-arginine derivative .


The molecule <smiles>N=1N(C(=C(C1C(=O)NN2CCCCC2)C)C3=CC=C(C=C3)I)C4=CC=C(C=C4Cl)Cl</smiles> <smiles>N=1N(C(=C(C1C(=O)NN2CCCCC2)C)C3=CC=C(C=C3)I)C4=CC=C(C=C4Cl)Cl</smiles> is A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor. It has the role of antidepressant . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of CB1 receptor antagonist . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as carbohydrazide  . It is also related to or classified as organoiodine compound  . It is also related to or classified as pyrazoles , amidopiperidine .


The molecule <smiles>C(=O)(C1=CC=C(C=C1)/C=C/C2=CC3=C(C(CC=C3C4=CC=CC=C4)(C)C)C=C2)O</smiles> <smiles>C(=O)(C1=CC=C(C=C1)/C=C/C2=CC3=C(C(CC=C3C4=CC=CC=C4)(C)C)C=C2)O</smiles> is A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It is a potent retinoic acid receptor gamma (RARbeta) agonist that acts as an antagonist against RARalpha and RARgamma. It has the role of teratogenic agent . It has the role of retinoic acid receptor alpha antagonist . It has the role of retinoic acid receptor beta agonist . It has the role of retinoic acid receptor gamma antagonist . It is also related to or classified as benzoic acids , stilbenoid , dihydronaphthalenes .


The molecule <smiles>CC(=N)NCC1=CC(CN)=CC=C1</smiles> <smiles>CC(=N)NCC1=CC(CN)=CC=C1</smiles> is an aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase. It has the role of geroprotector . It has the role of angiogenesis inhibitor . It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It is also related to or classified as aralkylamine  . It is also related to or classified as carboxamidine  . It is also related to or classified as primary amino compound .


The molecule <smiles>[C@H]1([C@@H]([C@@H](CC(O1)O)O)O)CO</smiles> <smiles>[C@H]1([C@@H]([C@@H](CC(O1)O)O)O)CO</smiles> is A deoxygalactose that is D-galactopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. It has the role of metabolite . It is also related to or classified as deoxygalactose  .


The molecule <smiles>C1([C@@H]([C@]2(O[C@@H]([C@H]([C@]2(O1)[H])O)O)[H])O)=O</smiles> <smiles>C1([C@@H]([C@]2(O[C@@H]([C@H]([C@]2(O1)[H])O)O)[H])O)=O</smiles> is A carbohydrate lactone obtained by intramolecular condensation of the 6-carboxy group with the 3-hydroxy group of alpha-mannofuranuronic acid. It has the role of metabolite .  It is also related to or classified as gamma-lactone  . It is also related to or classified as carbohydrate lactone , furofuran .


The molecule <smiles>[C@@H]1(O)[C@H](O)[C@@H](O)[C@](OC1O)([C@H](O)CO)[H]</smiles> <smiles>[C@@H]1(O)[C@H](O)[C@@H](O)[C@](OC1O)([C@H](O)CO)[H]</smiles> is an aldoheptose that is the D-glycero-diastereomer of D-gulo-heptopyranose. It has the role of plant metabolite . It is also related to or classified as aldoheptose  .


The molecule <smiles>N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N)C(CNC(=O)CNC(=O)OCC=3C=CC=CC3)=O</smiles> <smiles>N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N)C(CNC(=O)CNC(=O)OCC=3C=CC=CC3)=O</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of N-carbobenzyloxy-glycylglycyl-L-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as tripeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C(CCC([O-])=O)CCC/C=C\C=C\[C@H](C/C=C\CCCCC)O</smiles> <smiles>C(CCC([O-])=O)CCC/C=C\C=C\[C@H](C/C=C\CCCCC)O</smiles> is an icosanoid anion anion that is the conjugate base of 12(S)-HETrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate . It is also related to or classified as hydroxyicosatrienoate .


The molecule <smiles>C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC3=CNC4=C3C=CC=C4</smiles> <smiles>C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC3=CNC4=C3C=CC=C4</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycyl-L-tryptophan with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C(=O)([C@@H](N)CC(C)C)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> <smiles>C(=O)([C@@H](N)CC(C)C)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-leucylglycine with the amino group of 2-naphthylamine. It has the role of chromogenic compound . It is also related to or classified as dipeptide  . It is also related to or classified as N-(2-naphthyl)carboxamide  .


The molecule <smiles>C1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O</smiles> <smiles>C1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O</smiles> is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched trisaccharide unit. It is also related to or classified as oligosaccharide phosphate , glucosamine oligosaccharide , amino octasaccharide .


The molecule <smiles>C1=CC2=C(C=C1)[N+](=C(C(C2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)O)C)[O-]</smiles> <smiles>C1=CC2=C(C=C1)[N+](=C(C(C2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)O)C)[O-]</smiles> is A member of the class of quinoline N-oxides that is 2-methyl-1-oxo-4-3,4-dihydroquinoline-3,4-diol carrying an additional (2E,6E)-farnesyl group at position 4. It has the role of bacterial metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as quinoline N-oxide , olefinic compound .


The molecule <smiles>C(O)[C@H]1OC(O)C[C@@H]1O</smiles> <smiles>C(O)[C@H]1OC(O)C[C@@H]1O</smiles> is A deoxypentose that is D-ribofuranose in which the hydroxy group at position C-2 is replaced by hydrogen. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as deoxypentose  .


The molecule <smiles>C(=O)(C=1C=CC=CC1)N[C@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)CC(C)C</smiles> <smiles>C(=O)(C=1C=CC=CC1)N[C@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)CC(C)C</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of N-benzoyl-L-leucine with the amino group of 2-naphthylamine. It has the role of chromogenic compound .  It is also related to or classified as N-(2-naphthyl)carboxamide  . It is also related to or classified as L-phenylalanine derivative .