The molecule <smiles>[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> <smiles>[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is an organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. It has the role of sodium channel blocker . It has the role of teratogenic agent . It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C</smiles> <smiles>CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C</smiles> is an aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4. It has the role of insecticide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of environmental contaminant . Its functional parent is dimethylcarbamic acid . It is also related to or classified as carbamate ester , aminopyrimidine , tertiary amino compound .


The molecule <smiles>[Na+].[O-][N+](=O)c1ccc(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)c(c1)[N+]([O-])=O</smiles> <smiles>[Na+].[O-][N+](=O)c1ccc(Nc2ccc(Nc3ccccc3)c(c2)S([O-])(=O)=O)c(c1)[N+]([O-])=O</smiles> is CI Acid Orange 3. It is also related to or classified as organic molecular entity .


The molecule <smiles>COc1c(N)c(O)c(CC=C(C)C)c(c1CC=C(C)C)-c1coc2cc(O)cc(O)c2c1=O</smiles> <smiles>COc1c(N)c(O)c(CC=C(C)C)c(c1CC=C(C)C)-c1coc2cc(O)cc(O)c2c1=O</smiles> is A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3', prenyl groups at positions 2' and 6', a methoxy group at position 5' and an amino group at position 4'. It has the role of plant metabolite . Its functional parent is isoflavone . It is also related to or classified as hydroxyisoflavone , methoxyisoflavone , substituted aniline .


The molecule <smiles>[Na+].[Na+].Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>ClC(Cl)(Cl)C#N</smiles> <smiles>ClC(Cl)(Cl)C#N</smiles> is Trichloroacetonitrile. It is also related to or classified as organochlorine compound  . It is also related to or classified as aliphatic nitrile  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CO1</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CO1</smiles> is Glycidyl oleate. Its functional parent is glycidol . It is also related to or classified as epoxide  . It is also related to or classified as carboxylic ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC1CO1</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC1CO1</smiles> is Glycidyl stearate. Its functional parent is glycidol . It is also related to or classified as epoxide  . It is also related to or classified as carboxylic ester  .


The molecule <smiles>Nc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(N)cc1Cl</smiles> <smiles>Nc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(N)cc1Cl</smiles> is 2,2',5,5'-Tetrachlorobenzidine.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as biphenyls .


The molecule <smiles>Cc1ccc(N=Nc2c(O)c(cc3cc(ccc23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> <smiles>Cc1ccc(N=Nc2c(O)c(cc3cc(ccc23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C1=C(C=CC(=C1)/C(/C2=CC=C(C=C2S([O-])(=O)=O)O)=C\3/C=C/C(/C=C3)=[N+](\CC4=CC=CC(=C4)S([O-])(=O)=O)/CC)N(CC5=CC=CC(=C5)S([O-])(=O)=O)CC.[Na+].[Na+]</smiles> <smiles>C1=C(C=CC(=C1)/C(/C2=CC=C(C=C2S([O-])(=O)=O)O)=C\3/C=C/C(/C=C3)=[N+](\CC4=CC=CC(=C4)S([O-])(=O)=O)/CC)N(CC5=CC=CC(=C5)S([O-])(=O)=O)CC.[Na+].[Na+]</smiles> is an organic sodium salt having 2-{(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}-5-hydroxybenzene-1-sulfonate as the counterion. Used as a substitute for Light green SF yellowish in Masson's trichrome as it is less likely to fade, and is more brilliant in colour. Also used as a food colouring agent. It has the role of fluorochrome . It has the role of histological dye . It has the role of food colouring . It is also related to or classified as organic sodium salt .


The molecule <smiles>CCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1</smiles> <smiles>CCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1</smiles> is Pithecolobine. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OCOC(=O)C(C)(C)C</smiles> <smiles>[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OCOC(=O)C(C)(C)C</smiles> is A penicillanic acid ester that is the pivaloyloxymethyl ester of ampicillin. It is a prodrug of ampicillin. It has the role of prodrug . Its functional parent is ampicillin . It is also related to or classified as pivaloyloxymethyl ester  . It is also related to or classified as penicillanic acid ester .


The molecule <smiles>CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]2(C5)O[C@H](C(C)C)[C@@H](C)C=C2)[C@]34O)O[C@@H](C)[C@@H]1NC(C)=O</smiles> <smiles>CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]2(C5)O[C@H](C(C)C)[C@@H](C)C=C2)[C@]34O)O[C@@H](C)[C@@H]1NC(C)=O</smiles> is an avermectin analogue that is eprinomectin B1a in which the butan-2-yl substituent of the spiroketal moiety is replaced by an isopropyl group. It is also related to or classified as acetamides , organic heteropentacyclic compound , disaccharide derivative , semisynthetic derivative , spiroketal , avermectin analogue .


The molecule <smiles>FC(F)=C</smiles> <smiles>FC(F)=C</smiles> is Vinylidene fluoride. It is also related to or classified as organofluorine compound  . It is also related to or classified as olefinic compound .


The molecule <smiles>[Ca++].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1.C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1</smiles> <smiles>[Ca++].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1.C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1</smiles> is an organic calcium salt that is the hemicalcium salt of zofenopril. A prodrug for zofenoprilat. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of vasodilator agent . It has the role of anticonvulsant . It has the role of prodrug . It has the role of apoptosis inhibitor . It has the role of cardioprotective agent . It is also related to or classified as organic calcium salt .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(O)=O.C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(O)=O.C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1</smiles> is an organoammonium salt obtained by combining zofenoprilat with one molar equivalent of L-arginine. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of vasodilator agent . It has the role of anticonvulsant . It has the role of apoptosis inhibitor . It has the role of cardioprotective agent . It is also related to or classified as organoammonium salt .


The molecule <smiles>CN(CCCC(O)C1=CN=CC=C1)N=O</smiles> <smiles>CN(CCCC(O)C1=CN=CC=C1)N=O</smiles> is A member of the class of nitrosamines that is butan-1-ol substituted by a pyridin-3-yl group at position 1 and by a methyl(nitroso)amino group at position 4. It is a major metabolite of nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), which is a carcinogen found in tobacco and responsible for inducing lung cancer in smokers. It has the role of carcinogenic agent . It has the role of biomarker . It has the role of human urinary metabolite . Its functional parent is 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one .  It is also related to or classified as secondary alcohol  . It is also related to or classified as nitrosamine  . It is also related to or classified as pyridines .


The molecule <smiles>O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccccc1c3=O</smiles> <smiles>O=c1c2ccccc2c2ccc3c4c(ccc1c24)c1ccccc1c3=O</smiles> is Vat Yellow 4. It is also related to or classified as ortho- and peri-fused polycyclic arene .


The molecule <smiles>CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C</smiles> <smiles>CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C</smiles> is an avermectin analogue that is avermectin A1a in which the methoxy group attached to the tetrahydrobenzofuranyl moiety is replaced by a hydroxy group and in which the hydroxy group at position 4 of the terminal 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hyxopoyranosyl group is replaced by an acetamido group. It is also related to or classified as acetamides , organic heteropentacyclic compound , disaccharide derivative , semisynthetic derivative , spiroketal , avermectin analogue .


The molecule <smiles>COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone in which the hydroxy group at position 3 has been converted into its alpha-L-rhamnopyranoside. It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is alpha-L-rhamnopyranose . It is also related to or classified as glycosyloxyflavone  .


The molecule <smiles>C1=C(C=CC(=C1)N=NC2=C3C(=CC=C2O)C=CC=C3)N=NC4=CC=CC=C4</smiles> <smiles>C1=C(C=CC(=C1)N=NC2=C3C(=CC=C2O)C=CC=C3)N=NC4=CC=CC=C4</smiles> is A bis(azo) compound that is 2-naphthol substituted at position 1 by a 4-{[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. It has the role of carcinogenic agent . It has the role of fluorochrome . It has the role of histological dye . Its functional parent is 2-naphthol . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , bis(azo) compound .


The molecule <smiles>CCCC\C=C/CCCCCCCCCCCC([O-])=O</smiles> <smiles>CCCC\C=C/CCCCCCCCCCCC([O-])=O</smiles> is an octadecenoate that is the conjugate base of (13Z)-octadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as octadecenoate  .


The molecule <smiles>C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1</smiles> <smiles>C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1</smiles> is A proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-2-methyl-3-sulfanylpropanoyl group. The active metabolite of zofenopril. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of vasodilator agent . It has the role of anticonvulsant . It has the role of drug metabolite . It has the role of apoptosis inhibitor . It has the role of cardioprotective agent . It is a conjugate acid of zofenoprilat(1-) .  It is also related to or classified as thiol  . It is also related to or classified as N-acyl-L-amino acid , aryl sulfide , L-proline derivative .


The molecule <smiles>CCCC\C=C/CCCCCCCCCCCC(O)=O</smiles> <smiles>CCCC\C=C/CCCCCCCCCCCC(O)=O</smiles> is an octadecenoic acid with a cis-double bond at position C-13. It is a conjugate acid of (13Z)-octadecenoate . It is also related to or classified as octadecenoic acid .


The molecule <smiles>C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1</smiles> <smiles>C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1</smiles> is A monocarboxylic acid anion that is the conjugate base of zofenoprilat, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>[65Zn]</smiles> <smiles>[65Zn]</smiles> is A zinc atom in which the nucleus contains 35 neutrons. It has a half-life of 244 days, decaying by emission of a positron (beta(+) decay), and is the most abundant and stable of the 25 known radioisotopes of zinc. It is also related to or classified as zinc atom  .


The molecule <smiles>CCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCC</smiles> <smiles>CCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCC3CC3CCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A trehalose mycolate compound consisting of two C58 mycolate groups attached to the 6- and 6'-positions of alpha,alpha'-trehalose. A mycobacterial cell wall glycolipid. It has the role of antineoplastic agent . It has the role of bacterial metabolite . It is also related to or classified as trehalose mycolate , polyacyl alpha,alpha-trehalose .


The molecule <smiles>CCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC</smiles> <smiles>CCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC</smiles> is A 1-phosphatidyl-1D-myo-inositol(1-) that is the conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-1D-myo-inositol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol(1-)  .


The molecule <smiles>CCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(\C=C\C)=C3)C(=O)[C@]2(C)OC1=O</smiles> <smiles>CCCCCC(=O)[C@@H]1[C@H]2CC3=C(COC(\C=C\C)=C3)C(=O)[C@]2(C)OC1=O</smiles> is an organic heterotricyclic compound that is 3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione that is substituted at positions 3, 6, and 9a by hexanoyl, (1E)-prop-1-en-1-yl and methyl groups, respectively (the 3S,3aR,9aR diastereoisomer). One of the azaphilonoid pigments in extracts of Monascus pilosus-fermented rice (red-mould rice), it is a potent inhibitor of carcinogenesis measured against chemical- or UV-initiated, phorbol-promoted mouse skin tumours. It has the role of antineoplastic agent . It has the role of antilipemic drug . It has the role of PPARgamma agonist . It has the role of fungal metabolite . It is also related to or classified as polyketide  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , alpha,beta-unsaturated ketone .


The molecule <smiles>COc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1</smiles> <smiles>COc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 3-isobutoxyphenoxyacetic acid with the amino group of 4-methoxyaniline. It has the role of antifungal agent . It has the role of glycerophosphoinositol synthesis inhibitor . Its functional parent is phenylacetic acid . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aromatic ether , aromatic amide .


The molecule <smiles>CCCCC[C@H]1C[C@@H]2CCC[C@@H](C[C@H](C[C@@H]3C[C@H](C[C@H](CC(=O)O1)O3)OC(=O)\C=C/CCc1coc(\C=C/CNC(=O)OC)n1)OC)O2</smiles> <smiles>CCCCC[C@H]1C[C@@H]2CCC[C@@H](C[C@H](C[C@@H]3C[C@H](C[C@H](CC(=O)O1)O3)OC(=O)\C=C/CCc1coc(\C=C/CNC(=O)OC)n1)OC)O2</smiles> is A synthetic macrolide that is an analogue of the marine metabolite leucascandrolide A that exhibits comparable antiproliferative properties. It has the role of antifungal agent .  It is also related to or classified as macrolide  .    It is also related to or classified as enoate ester  . It is also related to or classified as carbamate ester , organic heterotricyclic compound , polycyclic ether , 1,3-oxazoles , semisynthetic derivative .


The molecule <smiles>CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1</smiles> <smiles>CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1</smiles> is A secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group.   It is also related to or classified as secondary alcohol  . It is also related to or classified as benzyl alcohols , polyphenol , secondary amino compound .


The molecule <smiles>NCCCNCCCN1CCCCCCCCCCCCCC1</smiles> <smiles>NCCCNCCCN1CCCCCCCCCCCCCC1</smiles> is A polyazaalkane that is azacyclopentadecane in which the amino proton is replaced by a 3-(3-aminopropylamino)propyl group. It has the role of antineoplastic agent . It has the role of marine metabolite . Its functional parent is bis(3-aminopropyl)amine . It is also related to or classified as secondary amine  . It is also related to or classified as primary amine  .  It is also related to or classified as triamine  . It is also related to or classified as azacycloalkane , polyazaalkane .


The molecule <smiles>[Br-].CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> <smiles>[Br-].CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> is an organic bromide salt that containing equal numbers of dodecyl(triphenyl)phosphonium cations and bromide anions. It is also related to or classified as organic bromide salt .


The molecule <smiles>CC(=O)Oc1ccc(cc1)[N+]([O-])=O</smiles> <smiles>CC(=O)Oc1ccc(cc1)[N+]([O-])=O</smiles> is A phenyl acetate resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of acetic acid. Its functional parent is 4-nitrophenol . It is also related to or classified as phenyl acetates  . It is also related to or classified as C-nitro compound .


The molecule <smiles>CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> <smiles>CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> is A polyatomic cation consisting of a dodecyl group and three phenyl groups attached to a central phosphonium. It is also related to or classified as phosphorus molecular entity , heteroorganic entity , polyatomic cation .


The molecule <smiles>C[C@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1</smiles> <smiles>C[C@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1</smiles> is A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which the carbon bearing the hydroxy group has S configuration while the remaining stereocentre has R configuration. It is also related to or classified as 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol  .


The molecule <smiles>Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(O)=O</smiles> <smiles>Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(O)=O</smiles> is A chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of vitamin E, it is used as a standard for measuring the antioxidant capacity of complex mixtures. It has the role of ferroptosis inhibitor . It has the role of antioxidant . It has the role of radical scavenger . It has the role of neuroprotective agent . It has the role of Wnt signalling inhibitor .   It is also related to or classified as phenols  . It is also related to or classified as chromanol , monocarboxylic acid .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O</smiles> is A sixteen membered polypeptide consisting of Ala, Leu, Trp, Lys, Asn, Met, Leu, Lys, Gly, Ile, Gly, Lys, Leu, Ala, Gly and Lys-NH2 residues joined in sequence. A fragment of the amphibian skin peptide dermaseptin s3.  It is also related to or classified as polypeptide  . It is also related to or classified as peptidyl amide .


The molecule <smiles>C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1</smiles> <smiles>C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1</smiles> is A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which the carbon bearing the hydroxy group has R configuration while the remaining stereocentre has S configuration. It is also related to or classified as 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol  .


The molecule <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is an amino nonasaccharide that is the linear hexasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl residue nearest the reducing end has the branched trisaccharide alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man attached at position 6. It is also related to or classified as glucosamine oligosaccharide , amino nonasaccharide , (Hex)6,7(HexNAc)2 .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](CO)OC1OCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](CO)OC1OCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12</smiles> is biotin linked to the alpha-gal epitope through a 6-amino-N-(3-hydroxypropyl)hexanamide spacer. It is also related to or classified as biotins .


The molecule <smiles>Cc1ccc2C=C3C=CC(CCCCCCCCCCCC(O)=O)=[N+]3[B-](F)(F)n12</smiles> <smiles>Cc1ccc2C=C3C=CC(CCCCCCCCCCCC(O)=O)=[N+]3[B-](F)(F)n12</smiles> is A BODIPY compound that is 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene substituted at position 5 by a methyl group and at position 3 by a 11-carboxyundecyl group. It has the role of fluorochrome . Its functional parent is 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene . It is also related to or classified as monocarboxylic acid , BODIPY compound .


The molecule <smiles>[Br-].CCCC[n+]1ccc2c(c1-c1ccccc1Cl)n(Cc1ccccc1)c1ccccc21</smiles> <smiles>[Br-].CCCC[n+]1ccc2c(c1-c1ccccc1Cl)n(Cc1ccccc1)c1ccccc21</smiles> is an organic bromide salt having 9-benzyl-2-butyl-1-(2-chlorophenyl)-9H-beta-carbolin-2-ium as the counterion. It has the role of antineoplastic agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as organic bromide salt .


The molecule <smiles>Cc1ccc(C)c(c1)-n1cnc2cc(ccc12)C(=O)NCc1ccccc1Cl</smiles> <smiles>Cc1ccc(C)c(c1)-n1cnc2cc(ccc12)C(=O)NCc1ccccc1Cl</smiles> is an aromatic amide obtained by the formal condensation of the carboxy group of 1-(2,5-dimethylphenyl)benzimidazole-5-carboxylic acid with the amino group of 2-chlorobenzylamine.  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as benzimidazoles , aromatic amide , monochlorobenzenes .


The molecule <smiles>C[C@@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1</smiles> <smiles>C[C@@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1</smiles> is A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which both stereocentres have S configuration. It is also related to or classified as 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol  .


The molecule <smiles>[Br-].CCCC[n+]1ccc2c(c1)n(Cc1ccccc1)c1ccccc21</smiles> <smiles>[Br-].CCCC[n+]1ccc2c(c1)n(Cc1ccccc1)c1ccccc21</smiles> is an organic bromide salt having 9-benzyl-2-butyl-9H-beta-carbolin-2-ium as the counterion. It is also related to or classified as organic bromide salt .


The molecule <smiles>C[C@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1</smiles> <smiles>C[C@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1</smiles> is A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which both stereocentres have R configuration. It is the most active of the four diastereoisomers that make up the animal feed additive ractopamine. It has the role of beta-adrenergic agonist . It has the role of animal growth promotant . It is also related to or classified as 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol  .


The molecule <smiles>COc1cc2cc([nH]c2c(OC)c1OC)C(=O)Nc1cc(N)c2ccccc2c1CCCl</smiles> <smiles>COc1cc2cc([nH]c2c(OC)c1OC)C(=O)Nc1cc(N)c2ccccc2c1CCCl</smiles> is an indolecarboxamide obtained by the formal condensation of the carboxy group of 5,6,7-trimethoxyindole-2-carboxylic acid with the 2-amino group of 1-(2-chloroethyl)-2,4-diaminonaphthalene. It has the role of antineoplastic agent .   It is also related to or classified as organochlorine compound  . It is also related to or classified as aromatic amine , aromatic ether , indolecarboxamide .


The molecule <smiles>CCCC[n+]1ccc2c(c1-c1ccccc1Cl)n(Cc1ccccc1)c1ccccc21</smiles> <smiles>CCCC[n+]1ccc2c(c1-c1ccccc1Cl)n(Cc1ccccc1)c1ccccc21</smiles> is an organic cation that is DH334 lacking the bromide couterion. It has the role of antineoplastic agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as organic cation .


The molecule <smiles>Cc1nc2c(nc(N)nc2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C</smiles> <smiles>Cc1nc2c(nc(N)nc2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C</smiles> is A member of the family of pteridines that is 2-amino-6,7-dimethyl-4-oxo-4,8-dihydropteridine in which the hydrogen at position 8 is replaced by a D-ribityl group. Its functional parent is ribitol . It is also related to or classified as pteridines .


The molecule <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is an amino nonasaccharide that is the linear pentasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl residue nearest the reducing end has the branched tetrasaccharide alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man attached at position 6. It is also related to or classified as glucosamine oligosaccharide , amino nonasaccharide , (Hex)6,7(HexNAc)2 .


The molecule <smiles>OC(=O)CCCCCCC\C=C/C#CC#Cc1ccco1</smiles> <smiles>OC(=O)CCCCCCC\C=C/C#CC#Cc1ccco1</smiles> is A polyunsaturated fatty acid that is tetradec-9-ene-11,13-diynoic acid in which the terminal acetylenic hydrogen is replaced by a 2-furyl group. Shows potent and broad-spectrum activity in vitro against Candida, Aspergillus, and Trichophyton spp.,. It has the role of antifungal agent . It has the role of plant metabolite . It is also related to or classified as furans , acetylenic fatty acid , polyunsaturated fatty acid , olefinic fatty acid .


The molecule <smiles>CC1=C[C@@H]2O[C@@]3(O)C[C@@]4(CO4)[C@](C)(C3O)[C@@]2(C)CC1</smiles> <smiles>CC1=C[C@@H]2O[C@@]3(O)C[C@@]4(CO4)[C@](C)(C3O)[C@@]2(C)CC1</smiles> is an organic heterotricyclic compound that is isolated from the fermentation broth of Curvularia sp. RK97-F166. It has the role of fungal metabolite . It is also related to or classified as spiro-epoxide , organic heterotricyclic compound , bridged compound , cyclic hemiketal .


The molecule <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](C[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1</smiles> <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](C[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1</smiles> is A spirostanyl glycoside that is isolated from Ophiopogon japonicus and exhibits antioxidant properties. It has the role of antioxidant . It has the role of plant metabolite . It is also related to or classified as alpha-L-rhamnoside  . It is also related to or classified as beta-D-fucoside  . It is also related to or classified as spirostanyl glycoside , triterpenoid saponin , monosaccharide derivative , hexacyclic triterpenoid , spiroketal .


The molecule <smiles>CN(Cc1ccccc1)C(=O)Cn1sc2ccccc2c1=O</smiles> <smiles>CN(Cc1ccccc1)C(=O)Cn1sc2ccccc2c1=O</smiles> is A monocarboxylic acid amide obtained by the formal condensation of the carboxy group of 2-(3-oxo-1,2-benzothiazol-2-yl)acetic acid with the amino group of N-methylbenzylamine. It has the role of antifungal agent . It is also related to or classified as lactam  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 1,2-benzisothiazole .


The molecule <smiles>O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O</smiles> <smiles>O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O</smiles> is A trisaccharide in which three alpha-D-galactopyranuronic acid units are joined via (1->4)-linkages. It has the role of bacterial xenobiotic metabolite . It is also related to or classified as trisaccharide , carbohydrate acid .


The molecule <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is an amino octasaccharide that is the linear hexasaccharide alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl residue nearest the reducing end has the disaccharide alpha-D-Man-(1->3)-alpha-D-Man attached at position 6. It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide , (Hex)6,7(HexNAc)2 .


The molecule <smiles>[Fe]</smiles> <smiles>[Fe]</smiles> is an elemental iron in which the atom has an oxidation state of zero. It is also related to or classified as elemental iron .


The molecule <smiles>CCCC[n+]1ccc2c(c1)n(Cc1ccccc1)c1ccccc21</smiles> <smiles>CCCC[n+]1ccc2c(c1)n(Cc1ccccc1)c1ccccc21</smiles> is an organic cation that is DH335 lacking the bromide couterion. It is also related to or classified as organic cation .


The molecule <smiles>CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)C(OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O</smiles> <smiles>CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)C(OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O</smiles> is A semisynthetic derivative that is sirolimus in which the hydroxy group attached to the cyclohexyl moiety has been converted to the corresponding dimethylphosphinate. It has the role of antineoplastic agent . It has the role of mTOR inhibitor . Its functional parent is sirolimus . It is also related to or classified as macrolide lactam , phosphinic ester , cyclic acetal , semisynthetic derivative .


The molecule <smiles>C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1</smiles> <smiles>C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid with the secondary amino group of 5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole. An orexin receptor antagonist used for the management of insomnia. It has the role of central nervous system depressant . It has the role of orexin receptor antagonist .  It is also related to or classified as organochlorine compound  . It is also related to or classified as triazoles , diazepine , 1,3-benzoxazoles , aromatic amide .


The molecule <smiles>Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1</smiles> <smiles>Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1</smiles> is A member of the class of quinolones that is 2-methylquinolin-4(1H)-one in which the hydrogen at position 3 is replaced by a 4-[4-(trifluoromethoxy)phenoxy]phenyl group. A potent inhibitor of Toxoplasma gondii growth. It has the role of antiparasitic agent .   It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolone , aromatic ether .


The molecule <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> <smiles>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O</smiles> is an amino nonasaccharide that consists of the disaccharide beta-D-GlcpNAc-(1->4)-D-GlcpNAc having a branched heptamannosyl moiety attached at position 4. It is also related to or classified as glucosamine oligosaccharide , amino nonasaccharide , (Hex)6,7(HexNAc)2 .


The molecule <smiles>CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@H]1C(O)=O</smiles> <smiles>CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@H]1C(O)=O</smiles> is A tetrasaccharide derivative that consists of an 4-O-methyl-alpha-D-glucuronosyl residue attached at the 2-position of the non-reducing end of xylotriose. It is also related to or classified as carbohydrate acid derivative , tetrasaccharide derivative .


The molecule <smiles>C1=C(C=CC(=C1)/C(/C2=CC=C(C=C2S([O-])(=O)=O)O)=C\3/C=C/C(/C=C3)=[N+](\CC4=CC=CC(=C4)S([O-])(=O)=O)/CC)N(CC5=CC=CC(=C5)S([O-])(=O)=O)CC</smiles> <smiles>C1=C(C=CC(=C1)/C(/C2=CC=C(C=C2S([O-])(=O)=O)O)=C\3/C=C/C(/C=C3)=[N+](\CC4=CC=CC(=C4)S([O-])(=O)=O)/CC)N(CC5=CC=CC(=C5)S([O-])(=O)=O)CC</smiles> is an organosulfonate oxoanion obtained by the removal of three protons from Fast green FCF(1+). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>Cc1cc(ccc1\N=N\c1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> <smiles>Cc1cc(ccc1\N=N\c1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is an organosulfonate oxoanion obtained by deprotonation of the four sulfo groups of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid). It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>O=C1C=Cc2ccccc2C2CCNC(=O)CC(NCCCCN12)c1ccccc1</smiles> <smiles>O=C1C=Cc2ccccc2C2CCNC(=O)CC(NCCCCN12)c1ccccc1</smiles> is Pleurostyline. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1</smiles> <smiles>CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1</smiles> is A carbamate ester that is the ethyl ester of [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethynyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamic acid. A protease-activated receptor-1 antagonist used (as its sulfate salt) for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation. It has the role of cardiovascular drug . It has the role of platelet aggregation inhibitor . It has the role of protease-activated receptor-1 antagonist .  It is also related to or classified as lactone  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as carbamate ester , pyridines , naphthofuran .


The molecule <smiles>C1=CC=CC(=C1C)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC=C3O)C=CC=C4)C</smiles> <smiles>C1=CC=CC(=C1C)N=NC2=CC(=C(C=C2)N=NC3=C4C(=CC=C3O)C=CC=C4)C</smiles> is A bis(azo) compound that is 2-naphthol substituted at position 1 by a {2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. It has the role of carcinogenic agent . It has the role of fluorochrome . It has the role of histological dye . Its functional parent is 2-naphthol . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , bis(azo) compound .


The molecule <smiles>CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(c[nH+]2)-c2cccc(F)c2)C1</smiles> <smiles>CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(c[nH+]2)-c2cccc(F)c2)C1</smiles> is A pyridinium ion obtained by protonation of the pyridine nitrogen in vorapaxar. It is a conjugate acid of vorapaxar . It is also related to or classified as pyridinium ion .


The molecule <smiles>[Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O</smiles> is an organic sodium salt having 3-[(ethyl{4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-sulfonatophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonate as the counterion. It is the standard dye in North American for staining collagen and is also used extensively in plant histology. It has the role of histological dye . It is also related to or classified as organic sodium salt .


The molecule <smiles>CCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC</smiles> <smiles>CCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as butanoyl. Its functional parent is butyric acid . It is a conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate  . It is also related to or classified as butyrate ester  .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C([O-])=O</smiles> is A non-proteinogenic dipeptide formed from L-gamma-glutamic acid and hercynyl-L-cysteine sulfoxide residues. It is an intermediate in the synthesis of ergothioneine, a compound found in certain fungi and mycobacteria. It has the role of fungal metabolite . Its functional parent is L-histidine . Its functional parent is L-cysteine . It is a conjugate acid of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide(1-) . It is also related to or classified as sulfoxide  .  It is also related to or classified as dipeptide  . It is also related to or classified as ammonium betaine .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)n1)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)n1)C([O-])=O</smiles> is A peptide anion that is the conjugate base of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine and major species at pH 7.3. Its functional parent is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine . It is also related to or classified as peptide anion .


The molecule <smiles>Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1</smiles> <smiles>Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1</smiles> is A member of the class of piperidines carrying two aryl substituents (4-chlorophenyl and 4-(pyrazol-4-yl)phenyl) at position 4. 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 piperidines , pyrazoles , monochlorobenzenes .


The molecule <smiles>COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1</smiles> <smiles>COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1</smiles> is A member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent . It is also related to or classified as phenols  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether , benzoxazine , secondary amino compound .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)C([O-])=O</smiles> is A peptide anion that is the conjugate base of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide and major species at pH 7.3. Its functional parent is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine . It is also related to or classified as peptide anion .


The molecule <smiles>COc1ccc(CC(C)(C)[NH2+]C[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1</smiles> <smiles>COc1ccc(CC(C)(C)[NH2+]C[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1</smiles> is an organic cation obtained by protonation of the secondary hydroxy group of olodaterol. It is a conjugate acid of olodaterol . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC</smiles> <smiles>CCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC</smiles> is A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as butanoyl. Its functional parent is butyric acid . It is a conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1-) . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol  . It is also related to or classified as butyrate ester  .


The molecule <smiles>O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O</smiles> <smiles>O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O</smiles> is A tetraisaccharide in which four alpha-D-galactopyranuronic acid units are joined via (1->4)-linkages. It has the role of bacterial xenobiotic metabolite .  It is also related to or classified as tetrasaccharide  . It is also related to or classified as carbohydrate acid .


The molecule <smiles>Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1</smiles> <smiles>Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1</smiles> is am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively. It has the role of angiogenesis inhibitor . It has the role of anti-inflammatory agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as imidazoles , piperidines , aminopyrimidine .


The molecule <smiles>Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1</smiles> <smiles>Cc1ccc(cc1Nc1cc(=O)n(C)c2n(ncc12)-c1ccc(F)cc1F)C(=O)NC1CC1</smiles> is A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzoic acid with the amino group of cyclopropylamine. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , aromatic amine , pyrazolopyridine , secondary amino compound , cyclopropanes .


The molecule <smiles>CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O</smiles> <smiles>CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O</smiles> is A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. It has the role of anti-inflammatory agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as organobromine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , aromatic ether , pyridone .


The molecule <smiles>CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1</smiles> <smiles>CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1</smiles> is A member of the class of piperazines in which the two amino hydrogens of piperazine are replaced by 2-benzoylpropyl and 2-ethoxy-2-phenylethyl groups. It has the role of mucolytic . It is also related to or classified as ether  . It is also related to or classified as N-alkylpiperazine , aromatic ketone .


The molecule <smiles>CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1</smiles> <smiles>CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1</smiles> is A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. 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 apoptosis inducer .   It is also related to or classified as organofluorine compound  . It is also related to or classified as purines , aromatic amine , quinazolines , secondary amino compound .


The molecule <smiles>CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2</smiles> <smiles>CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2</smiles> is A semisynthetic glycopeptide used for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms including MRSA. It has the role of antimicrobial agent . It has the role of antibacterial drug . It is also related to or classified as glycopeptide  . It is also related to or classified as monosaccharide derivative , carbohydrate acid derivative , semisynthetic derivative .


The molecule <smiles>OC[C@@H](O)CN1CCN(CC1)c1ccccc1</smiles> <smiles>OC[C@@H](O)CN1CCN(CC1)c1ccccc1</smiles> is A member of the class of N-arylpiperazines that is N-phenylpiperazine in which the amino hydrogen is replaced by a 2,3-dihydroxypropyl group (the S-enantiomer). A peripherally acting antitussive drug that is used as an alternative to opioids. It has the role of antitussive . It is also related to or classified as secondary alcohol  . It is also related to or classified as N-alkylpiperazine , N-arylpiperazine .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)n1)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)n1)C([O-])=O</smiles> is A non-proteinogenic dipeptide formed from L-gamma-glutamic acid and hercynyl-L-selenocysteine residues. It has the role of fungal metabolite . Its functional parent is L-histidine . It is a conjugate acid of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine(1-) . It is also related to or classified as sulfoxide  .  It is also related to or classified as dipeptide  . It is also related to or classified as ammonium betaine .


The molecule <smiles>Cn1cnc(S)c1C[C@H]([NH3+])C([O-])=O</smiles> <smiles>Cn1cnc(S)c1C[C@H]([NH3+])C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from ovothiol A by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1</smiles> <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCOC3)cc2)c1</smiles> is A C-glycosyl compound consisting of a beta-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. It has the role of hypoglycemic agent . It has the role of sodium-glucose transport protein subtype 2 inhibitor . It is also related to or classified as C-glycosyl compound , aromatic ether , tetrahydrofuryl ether , monochlorobenzenes .


The molecule <smiles>C1=C(C=CC(=C1F)C2=CN=C(C=C2)C=3N=NN(N3)C)N4C(O[C@H](C4)CO)=O</smiles> <smiles>C1=C(C=CC(=C1F)C2=CN=C(C=C2)C=3N=NN(N3)C)N4C(O[C@H](C4)CO)=O</smiles> is A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis. It has the role of antimicrobial agent . It has the role of protein synthesis inhibitor . It has the role of drug metabolite . It is also related to or classified as primary alcohol  .    It is also related to or classified as organofluorine compound  . It is also related to or classified as carbamate ester , pyridines , tetrazoles , oxazolidinone .


The molecule <smiles>Cn1cnc(S)c1C[C@H](N)C(O)=O</smiles> <smiles>Cn1cnc(S)c1C[C@H](N)C(O)=O</smiles> is A L-histidine derivative that is L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant . It has the role of radical scavenger . It has the role of marine metabolite . It is also related to or classified as aryl thiol  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-histidine derivative .


The molecule <smiles>C[NH+](C)[C@@H](Cc1c(S)ncn1C)C([O-])=O</smiles> <smiles>C[NH+](C)[C@@H](Cc1c(S)ncn1C)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from ovothiol C by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>C[NH2+][C@@H](Cc1c(S)ncn1C)C([O-])=O</smiles> <smiles>C[NH2+][C@@H](Cc1c(S)ncn1C)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from ovothiol B by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>CN[C@@H](Cc1c(S)ncn1C)C(O)=O</smiles> <smiles>CN[C@@H](Cc1c(S)ncn1C)C(O)=O</smiles> is A L-histidine derivative that is N-methyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant . It has the role of radical scavenger . It has the role of marine metabolite . It is also related to or classified as aryl thiol  . It is also related to or classified as L-histidine derivative .


The molecule <smiles>CC(C)NC[C@@H](O)c1cc(O)cc(O)c1</smiles> <smiles>CC(C)NC[C@@H](O)c1cc(O)cc(O)c1</smiles> is A 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol that is the (S)-enantiomer of orciprenaline. It is also related to or classified as 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol  .


The molecule <smiles>C[C@@H](N1CCC(=C)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F</smiles> <smiles>C[C@@H](N1CCC(=C)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F</smiles> is A member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes). It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as organofluorine compound  . It is also related to or classified as piperidines , tertiary amino compound , olefinic compound , conazole antifungal drug , triazole antifungal drug .


The molecule <smiles>C=1(C2=CC=C(Cl)C=C2)NN=C(C1C3=CC=NC=N3)C4CCN(CC4)C(=O)CO</smiles> <smiles>C=1(C2=CC=C(Cl)C=C2)NN=C(C1C3=CC=NC=N3)C4CCN(CC4)C(=O)CO</smiles> is A member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively. It is also related to or classified as primary alcohol  . It is also related to or classified as pyrazoles , pyrimidines , N-acylpiperidine , monochlorobenzenes .


The molecule <smiles>[NH3+][C@@H](Cc1nc[nH]c1S(=O)C[C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> <smiles>[NH3+][C@@H](Cc1nc[nH]c1S(=O)C[C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion formed from S-(5-histidyl)cysteine sulfoxide by transfer of protons from the two carboxy to the two amino grousp; major species at pH 7.3. Its functional parent is L-cysteine zwitterion . Its functional parent is L-histidine zwitterion . It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>CC(C)NC[C@H](O)c1cc(O)cc(O)c1</smiles> <smiles>CC(C)NC[C@H](O)c1cc(O)cc(O)c1</smiles> is A 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol that is the (R)-enantiomer of orciprenaline. It is also related to or classified as 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is dotriacontapentaenoic acid having five double bonds located at positions 14, 17, 20, 23 and 26 (the 14Z,17Z,20Z,23Z,26Z-isomer). It is a conjugate acid of (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate . It is also related to or classified as omega-6 fatty acid , dotriacontapentaenoic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC([O-])=O</smiles> is A dotriacontapentaenoate that is the conjugate base of (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dotriacontapentaenoate  .


The molecule <smiles>Cl.Cl.CC1CNCCN1S(=O)(=O)c1cccc2cnccc12</smiles> <smiles>Cl.Cl.CC1CNCCN1S(=O)(=O)c1cccc2cnccc12</smiles> is A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It is also related to or classified as hydrochloride .


The molecule <smiles>CC(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1</smiles> <smiles>CC(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1</smiles> is pterin acetylated on N-2 and carrying a formyl group at position 6. It is also related to or classified as pterins .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of arachidonic acid. It has the role of antibacterial agent . It has the role of mouse metabolite . Its functional parent is arachidonic acid . It is also related to or classified as cholesteryl icosatetraenoate  .


The molecule <smiles>N[C@@H](Cc1nc[nH]c1S(=O)C[C@H](N)C(O)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1nc[nH]c1S(=O)C[C@H](N)C(O)=O)C(O)=O</smiles> is A L-cysteine derivative that is L-cysteine sulfoxide in which the hydrogen attached to sulfur is replaced by a 5-L-histidyl group. It has the role of marine metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-cysteine derivative , L-histidine derivative .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as cholesteryl ester  .


The molecule <smiles>CC1C[NH2+]CCN1S(=O)(=O)c1cccc2c[nH+]ccc12</smiles> <smiles>CC1C[NH2+]CCN1S(=O)(=O)c1cccc2c[nH+]ccc12</smiles> is 1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+). It is a conjugate acid of 1-(5-isoquinolinesulfonyl)-2-methylpiperazine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>Cc1cccc2c(C([O-])=O)c(O)ccc12</smiles> <smiles>Cc1cccc2c(C([O-])=O)c(O)ccc12</smiles> is A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as naphthoate  .


The molecule <smiles>Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)O[C@H]([C@@H]7O)n7cnc8c(N)ncnc78)O[C@H]([C@@H]6O)n6cnc7c(N)ncnc67)O[C@H]([C@@H]5O)n5cnc6c(N)ncnc56)O[C@H]([C@@H]4O)n4ccc(N)nc4=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]2O)c(=O)n1</smiles> <smiles>Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)O[C@H]([C@@H]7O)n7cnc8c(N)ncnc78)O[C@H]([C@@H]6O)n6cnc7c(N)ncnc67)O[C@H]([C@@H]5O)n5cnc6c(N)ncnc56)O[C@H]([C@@H]4O)n4ccc(N)nc4=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of one guanosine, four adenosine and two cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-A-A-C-A-C. It is also related to or classified as RNA fragment .


The molecule <smiles>Cc1cccc2c(C(O)=O)c(O)ccc12</smiles> <smiles>Cc1cccc2c(C(O)=O)c(O)ccc12</smiles> is A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 5 by hydroxy and methyl groups respectively. It has the role of bacterial metabolite . It is a conjugate acid of 2-hydroxy-5-methyl-1-naphthoate . It is also related to or classified as naphthols , naphthoic acid .


The molecule <smiles>CN(C)[C@@H](Cc1c(S)ncn1C)C(O)=O</smiles> <smiles>CN(C)[C@@H](Cc1c(S)ncn1C)C(O)=O</smiles> is A L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has the role of antioxidant . It has the role of radical scavenger . It has the role of marine metabolite . It is also related to or classified as aryl thiol  . It is also related to or classified as L-histidine derivative .


The molecule <smiles>CC1=CC(=O)C2=C(O)C=CC=C2C1=O</smiles> <smiles>CC1=CC(=O)C2=C(O)C=CC=C2C1=O</smiles> is A  hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of anticoagulant . It has the role of immunological adjuvant .  It is also related to or classified as phenols  . It is also related to or classified as hydroxy-1,4-naphthoquinone .


The molecule <smiles>CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCS)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2</smiles> <smiles>CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCS)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2</smiles> is an organic heterotetracyclic compound and 19-membered macrocyclic lactam that is maytansine in which one of the hydrogens of the terminal N-acetyl group is replaced by a sulfanylmethyl group. It has the role of antineoplastic agent . It has the role of tubulin modulator . Its functional parent is maytansine .  It is also related to or classified as thiol  . It is also related to or classified as epoxide  . It is also related to or classified as organochlorine compound  .  It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as carbamate ester , organic heterotetracyclic compound , maytansinoid .


The molecule <smiles>CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2OCCOc2c1</smiles> <smiles>CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2OCCOc2c1</smiles> is an organic cation obtained by protonation of the tertiary amino function of eliglustat. It is a conjugate acid of eliglustat . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NP(=O)(OCCCN)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> <smiles>CSCC[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NP(=O)(OCCCN)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> is A member of the family of microcins comprising a heptapeptide covalently liinked to 3-aminopropyl-AMP via an acylphosphoramide linkage. A potent inhibitor of aspartyl-tRNA synthetase. It has the role of EC 6.1.1.12 (aspartate--tRNA ligase) inhibitor . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as microcin .


The molecule <smiles>CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1</smiles> <smiles>CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1</smiles> is A carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease. It has the role of EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor . It is also related to or classified as secondary alcohol  . It is also related to or classified as carboxamide  . It is also related to or classified as N-alkylpyrrolidine , benzodioxine .


The molecule <smiles>NCCCNCCCNCCCNCCCN</smiles> <smiles>NCCCNCCCNCCCNCCCN</smiles> is A polyazaalkane that is the 1,5,9,13,17-pentaaza derivative of heptodecane. It has the role of marine metabolite . It is also related to or classified as polyazaalkane , primary amino compound , secondary amino compound .


The molecule <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)c1ccc(O)cc1</smiles> <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])([O-])=O)c1ccc(O)cc1</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(5-O-phospho-beta-D-ribofuranosyl)phenol; major species at pH 7.3. Its functional parent is D-ribofuranose 5-phosphate(2-) . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>[H][C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(O)=O</smiles> <smiles>[H][C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(O)=O</smiles> is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It is also related to or classified as abietane diterpenoid .


The molecule <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)c1ccc(O)cc1</smiles> <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)c1ccc(O)cc1</smiles> is A ribose monophosphate that is D-ribofuranose 5-phosphate in which the anomeric OH group is replaced by a 4-hydroxy phenyl group (the beta-D-anomer). It has the role of bacterial metabolite . It is a conjugate acid of 4-(5-O-phosphonato-beta-D-ribofuranosyl)phenol(2-) . It is also related to or classified as C-glycosyl compound , ribose monophosphate .


The molecule <smiles>[NH3+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]</smiles> <smiles>[NH3+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]</smiles> is an organic cation obtained by protonation of the five amino groups of caldopentamine. It has the role of marine metabolite . It is a conjugate acid of caldopentamine(4+) . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCC1=C\C(=C\c2[nH]c(cc2OC)-c2ccc[nH]2)N=C1C</smiles> <smiles>CCCCCC1=C\C(=C\c2[nH]c(cc2OC)-c2ccc[nH]2)N=C1C</smiles> is A member of the class of tripyrroles that is a red-coloured pigment with antibiotic properties produced by Serratia marcescens. It has the role of biological pigment . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of bacterial metabolite .  It is also related to or classified as tripyrrole  . It is also related to or classified as aromatic ether , ring assembly .


The molecule <smiles>[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]</smiles> <smiles>[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]</smiles> is an organic cation obtained by protonation of the four primary amino groups of N(4)-bis(aminopropyl)spermidine. It has the role of bacterial metabolite . Its functional parent is N(4)-aminopropylspermidine(4+) . It is a conjugate acid of N(4)-bis(aminopropyl)spermidine(1+) . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>NCCCC[N+](CCCN)(CCCN)CCCN</smiles> <smiles>NCCCC[N+](CCCN)(CCCN)CCCN</smiles> is A quaternary ammonium ion that is spermidine carrying two 3-aminopropyl substituents at the N-4 position. It has the role of bacterial metabolite . Its functional parent is N(4)-aminopropylspermidine . It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as polyazaalkane .


The molecule <smiles>CCCCC[C@@H](CC=O)C(C)=O</smiles> <smiles>CCCCC[C@@H](CC=O)C(C)=O</smiles> is A ketoaldehyde that is octanal carrying an acetyl substituent at position 3 (the S-enantiomer). It is also related to or classified as ketoaldehyde .


The molecule <smiles>NCCCNCCCCN(CCCN)CCCN</smiles> <smiles>NCCCNCCCCN(CCCN)CCCN</smiles> is A polyazaalkane that is spermine in which the amino hydrogen at postion 4 is replaced by a 3-aminopropyl group. It has the role of bacterial metabolite . Its functional parent is spermine . It is also related to or classified as polyazaalkane , primary amino compound , tertiary amino compound .


The molecule <smiles>OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A glucosylglycerol consisting of an alpha-D-glucosyl residue attached at position 2 of glycerol via a glycosidic bond. It has the role of osmolyte . It has the role of bacterial metabolite . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as glucosylglycerol .


The molecule <smiles>C[C@@](CCOP(O)(O)=O)(CC(O)=O)OP(O)(O)=O</smiles> <smiles>C[C@@](CCOP(O)(O)=O)(CC(O)=O)OP(O)(O)=O</smiles> is A carboxyalkyl phosphate that is mevalonic acid phosphorylated at positions 3 and 5. It is a conjugate acid of (R)-3,5-bisphosphonatomevalonate(5-) . It is also related to or classified as carboxyalkyl phosphate .


The molecule <smiles>[NH3+]CCCC[NH+](CCC[NH3+])CCC[NH3+]</smiles> <smiles>[NH3+]CCCC[NH+](CCC[NH3+])CCC[NH3+]</smiles> is an organic cation obtained by protonation of the four amino groups of N(4)-aminopropylspermidine. It has the role of bacterial metabolite . It is a conjugate acid of N(4)-aminopropylspermidine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>NCCCCN(CCCN)CCCN</smiles> <smiles>NCCCCN(CCCN)CCCN</smiles> is A polyazaalkane that is spermidine in which the amino hydrogen at postion 4 is replaced by a 3-aminopropyl group. It has the role of bacterial metabolite . Its functional parent is spermidine . It is also related to or classified as polyazaalkane , primary amino compound , tertiary amino compound .


The molecule <smiles>C[C@@](CCO)(CC([O-])=O)OP([O-])([O-])=O</smiles> <smiles>C[C@@](CCO)(CC([O-])=O)OP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-3-phosphomevalonic acid; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion , organophosphate oxoanion .


The molecule <smiles>C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12</smiles> <smiles>C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12</smiles> is A 5'-deoxyribonucleoside in which hypoxanthine is attached to 5-deoxyribofuranose via a beta-N(9)-glycosidic bond. It has the role of bacterial metabolite . Its functional parent is inosine . It is also related to or classified as inosines , 5'-deoxyribonucleoside .


The molecule <smiles>C[C@@](CCO)(CC(O)=O)OP(O)(O)=O</smiles> <smiles>C[C@@](CCO)(CC(O)=O)OP(O)(O)=O</smiles> is A carboxyalkyl phosphate that is mevalonic acid phosphorylated at position 3. Its functional parent is (R)-mevalonic acid . It is a conjugate acid of (R)-3-phosphonatomevalonate(3-) . It is also related to or classified as primary alcohol  . It is also related to or classified as carboxyalkyl phosphate .


The molecule <smiles>C[C@@](O)(CO)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O</smiles> <smiles>C[C@@](O)(CO)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O</smiles> is Podolactone B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>NCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]</smiles> <smiles>NCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+]</smiles> is an organic cation obtained by protonation of four of the five amino groups of caldopentamine. It has the role of marine metabolite . It is a conjugate acid of caldopentamine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>Cc1cccc(C)c1N(C1CCOC1=O)C(=O)CCl</smiles> <smiles>Cc1cccc(C)c1N(C1CCOC1=O)C(=O)CCl</smiles> is an aromatic amide that is 2,6-dimethylaniline in which the two amino hydrogens are replaced by chloroacetyl and 2-oxotetrahydrofuran-3-yl groups. It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as butan-4-olide , aromatic amide .


The molecule <smiles>COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C</smiles> <smiles>COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C</smiles> is an alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate.  It is also related to or classified as methyl ester  . It is also related to or classified as carboxamide  . It is also related to or classified as alanine derivative , aromatic amide .


The molecule <smiles>[NH3+]CCC[NH2+]CCCC[NH+](CCC[NH3+])CCC[NH3+]</smiles> <smiles>[NH3+]CCC[NH2+]CCCC[NH+](CCC[NH3+])CCC[NH3+]</smiles> is an organic cation obtained by protonation of the five amino groups of N(4)-aminopropylspermine. It has the role of bacterial metabolite . It is a conjugate acid of N(4)-aminopropylspermine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>C[C@@](CCOP([O-])([O-])=O)(CC([O-])=O)OP([O-])([O-])=O</smiles> <smiles>C[C@@](CCOP([O-])([O-])=O)(CC([O-])=O)OP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-3,5-bisphosphomevalonic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1OP(O)(=O)O[C@H]1C(O)OC[C@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1OP(O)(=O)O[C@H]1C(O)OC[C@H](O)[C@@H]1O</smiles> is A member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a  phosphodiester linkage between position 4(F) of sucrose and position 2 of arabinose. It has the role of plant metabolite . Its functional parent is L-arabinopyranose . Its functional parent is sucrose . It is also related to or classified as agrocinopine .


The molecule <smiles>COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)C(=O)c2cc3OCOc3cc12</smiles> <smiles>COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)C(=O)c2cc3OCOc3cc12</smiles> is Podophyllotoxone. It is also related to or classified as lactone  . It is also related to or classified as lignan  .


The molecule <smiles>C\C1=C/CC\C(C)=C\CC(C)(C)[C@@H](O)CC\C(C)=C\CC1</smiles> <smiles>C\C1=C/CC\C(C)=C\CC(C)(C)[C@@H](O)CC\C(C)=C\CC1</smiles> is A fifteen-membered macrocyclic diterpenoid consisting of (1S,4E,8E,12E)-cyclopentadeca-4,8,12-trien-1-ol carrying five additional methyl substituents at positions 2, 2, 5, 9 and 13. It is also related to or classified as diterpenoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as cycloalkatriene  . It is also related to or classified as macrocycle  . It is also related to or classified as olefinic compound .


The molecule <smiles>OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1OP(O)(=O)O[C@H]1C(O)OC[C@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1OP(O)(=O)O[C@H]1C(O)OC[C@H](O)[C@@H]1O</smiles> is A member of the class of agrocinopines that consists of beta-D-fructose and L-arabinose units joined via a phosphodiester linkage between position 4 of fructose and position 2 of arabinose. It has the role of plant metabolite . Its functional parent is L-arabinopyranose . Its functional parent is beta-D-fructofuranose . It is also related to or classified as agrocinopine .


The molecule <smiles>CC(C)[C@@H](O)[C@H](O)C(=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NP(O)(=O)OC3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)ncnc12</smiles> <smiles>CC(C)[C@@H](O)[C@H](O)C(=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NP(O)(=O)OC3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)ncnc12</smiles> is A nucleotide conjugate that is produced by Agrobacterium radiobacter strain K-84. A 'Trojan horse' antibiotic used to control crown gall. It has the role of antimicrobial agent . It has the role of bacterial metabolite . It has the role of EC 6.1.1.4 (leucine--tRNA ligase) inhibitor . Its functional parent is D-galactose . Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as phosphoramidate ester , nucleotide conjugate , monosaccharide derivative .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCC</smiles> is an N-acylhexadecasphinganine in which the acyl group is specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is also related to or classified as N-palmitoyl-sphingoid base  . It is also related to or classified as N-acylhexadecasphinganine  .


The molecule <smiles>CC(C)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@@]3(C)C=CC[C@@]2(C)[C@@H]13</smiles> <smiles>CC(C)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@@]3(C)C=CC[C@@]2(C)[C@@H]13</smiles> is Podolide. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OP(O)(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OP(O)(=O)O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O</smiles> is A member of the class of agrocinopines that consists of sucrose and D-glucose units joined via a phosphodiester linkage between position 4(F) of sucrose and position 2 of glucose. It has the role of plant metabolite . Its functional parent is sucrose . Its functional parent is D-glucopyranose . It is also related to or classified as agrocinopine .


The molecule <smiles>CSCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> <smiles>CSCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-(methylthio)propanoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCC</smiles> is an N-acylhexadecasphinganine in which the acyl group is specified as stearoyl (octadecanoyl). Its functional parent is octadecanoic acid . It is also related to or classified as Cer(d34:0)  . It is also related to or classified as N-acylhexadecasphinganine  .


The molecule <smiles>CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O</smiles> <smiles>CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O</smiles> is A dipeptide resulting from the formal condensation of the carboxy group of N-benzyloxycarbonyl-L-valine with the amino group of L-phenylalanine aldehyde. It is a potent cell-permeable inhibitor of calpain I and II, and is also a gamma-secretase inhibitor. It has the role of anticoronaviral agent . It has the role of apoptosis inhibitor . It has the role of antileishmanial agent . It has the role of EC 3.4.23.46 (memapsin 2) inhibitor . It has the role of EC 3.4.22.52 (calpain-1) inhibitor . It has the role of EC 3.4.22.53 (calpain-2) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as aldehyde  . It is also related to or classified as carbamate ester .


The molecule <smiles>COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C</smiles> <smiles>COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C</smiles> is an alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate.   It is also related to or classified as methyl ester  . It is also related to or classified as carboxamide  . It is also related to or classified as alanine derivative , furans , aromatic amide .


The molecule <smiles>OC[C@H]1OC(O)[C@H](OP(O)(=O)O[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1OC(O)[C@H](OP(O)(=O)O[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O</smiles> is A member of the class of agrocinopines that consists of two D-glucose units joined via a (2<->2)-phosphodiester linkage. It has the role of plant metabolite . It is also related to or classified as D-glucopyranose  . It is also related to or classified as agrocinopine .


The molecule <smiles>CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C=O</smiles> <smiles>CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C=O</smiles> is A pentacyclic triterpenoid and hydroxyaldehyde that is erythrodiol in which the primary hydroxy group at position 28 has been oxidised to the corresponding aldehyde. It is found in grapes and olives. It has the role of plant metabolite . Its functional parent is erythrodiol .  It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxyaldehyde  . It is also related to or classified as pentacyclic triterpenoid .


The molecule <smiles>COc1ccc(cc1)[C@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@H]1OC(C)=O</smiles> <smiles>COc1ccc(cc1)[C@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@H]1OC(C)=O</smiles> is an ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of ent-diltiazem. The major species at pH 7.3. It has the role of potassium channel blocker . It is a conjugate acid of ent-diltiazem . It is also related to or classified as ammonium ion derivative .


The molecule <smiles>CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6C5=CC[C@]57[C@H](C(=O)C[C@@]65C)[C@](C)(CCCC(C)=C)OC7=O)C4(C)C)OS(O)(=O)=O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O</smiles> <smiles>CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6C5=CC[C@]57[C@H](C(=O)C[C@@]65C)[C@](C)(CCCC(C)=C)OC7=O)C4(C)C)OS(O)(=O)=O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O</smiles> is A triterpene glycoside obtained from the New Zealand and South Australian sea cucumber Australostichopus mollis. It has the role of antifungal agent . It has the role of marine metabolite . It is also related to or classified as lactone  . It is also related to or classified as pentacyclic triterpenoid , oligosaccharide sulfate , triterpenoid saponin , tetrasaccharide derivative , olefinic compound .


The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC</smiles> is A phytoceramide in which the N-acyl group is specified as octanoyl. Its functional parent is octanoic acid . It is also related to or classified as N-acylphytosphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC</smiles> is A dihydroceramide in which the N-acyl group is specified as octanoyl. Its functional parent is octanoic acid . It is also related to or classified as N-acylsphinganine  .


The molecule <smiles>CSCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CSCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-(methylthio)propionic acid. Its functional parent is 3-(methylthio)propionic acid . It is a conjugate acid of 3-(methylthio)propanoyl-CoA(4-) . It is also related to or classified as acyl-CoA  .


The molecule <smiles>CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]4CC[C@]5(C)[C@@H]6CC[C@]78[C@H](C(=C)C[C@@]7(C)C6=CC[C@H]5C4(C)C)[C@@](C)(OC8=O)C(=O)CCC(C)=C)OS(O)(=O)=O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O</smiles> <smiles>CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]4CC[C@]5(C)[C@@H]6CC[C@]78[C@H](C(=C)C[C@@]7(C)C6=CC[C@H]5C4(C)C)[C@@](C)(OC8=O)C(=O)CCC(C)=C)OS(O)(=O)=O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O</smiles> is A triterpene glycoside obtained from the New Zealand and South Australian sea cucumber Australostichopus mollis. It has the role of marine metabolite . It is also related to or classified as ketone  . It is also related to or classified as lactone  . It is also related to or classified as pentacyclic triterpenoid , oligosaccharide sulfate , triterpenoid saponin , tetrasaccharide derivative , olefinic compound .


The molecule <smiles>CC[C@H](Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1</smiles> <smiles>CC[C@H](Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1</smiles> is A 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine that has  S configuration. It is also related to or classified as 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine  .


The molecule <smiles>CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1</smiles> <smiles>CCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1</smiles> is A member of the class of aminopyrimidines that is 5-chloro-6-methylpyrimidin-4-amine in which one of the amino hydrogens is replaced by a 1-[4-(difluoromethoxy)phenyl]propyl group.  It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as aromatic ether , aminopyrimidine , secondary amino compound .


The molecule <smiles>Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1</smiles> <smiles>Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1</smiles> is A 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole that is the (S)-enantiomer of fenticonazole. It is also related to or classified as 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole  .


The molecule <smiles>CCNc1nc(CC)c(s1)C(=O)N[C@@H](C#N)c1cccs1</smiles> <smiles>CCNc1nc(CC)c(s1)C(=O)N[C@@H](C#N)c1cccs1</smiles> is an N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide that is the (S)-enantiomer of ethaboxam. It is also related to or classified as N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide  .


The molecule <smiles>Clc1cc(Cl)c2[C@@H](c3ccccc3CCc2c1)n1ccnc1</smiles> <smiles>Clc1cc(Cl)c2[C@@H](c3ccccc3CCc2c1)n1ccnc1</smiles> is 1-(2,4-dichloro-10,11-dihydrodibenzo[a,d][7]annulen-5-yl)imidazole that is the (R)-enantiomer of eberconazole. It is also related to or classified as 1-(2,4-dichloro-10,11-dihydrodibenzo[a,d][7]annulen-5-yl)imidazole  .


The molecule <smiles>CC[C@@H](Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1</smiles> <smiles>CC[C@@H](Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1</smiles> is A 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine that is the (R)-enantiomer of diflumetorim. It is also related to or classified as 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine  .


The molecule <smiles>CCNc1nc(CC)c(s1)C(=O)N[C@H](C#N)c1cccs1</smiles> <smiles>CCNc1nc(CC)c(s1)C(=O)N[C@H](C#N)c1cccs1</smiles> is an N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide that is the (R)-enantiomer of ethaboxam. It is also related to or classified as N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide  .


The molecule <smiles>Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1</smiles> <smiles>Clc1cc(Cl)c2[C@H](c3ccccc3CCc2c1)n1ccnc1</smiles> is 1-(2,4-dichloro-10,11-dihydrodibenzo[a,d][7]annulen-5-yl)imidazole that is the (S)-enantiomer of eberconazole. It is also related to or classified as 1-(2,4-dichloro-10,11-dihydrodibenzo[a,d][7]annulen-5-yl)imidazole  .


The molecule <smiles>Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1</smiles> <smiles>Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1</smiles> is A 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (R)-enantiomer of isoconazole. It is also related to or classified as 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  .


The molecule <smiles>Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1</smiles> <smiles>Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1</smiles> is an imidazole antifungal agent that is imidazole in which the hydrogen attached to the nitrogen is replaced by a 2,4'-difluorotrityl group. A topical antifungal agent which displays potent broad-spectrum in vitro activity against dermatophytes, filamentous fungi and yeasts. It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor . It is also related to or classified as monofluorobenzenes  . It is also related to or classified as imidazole antifungal drug , imidazoles .


The molecule <smiles>Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1</smiles> <smiles>Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1</smiles> is A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the active R-enantiomer of sertaconazole and is used (as its nitrate salt) for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug. It has the role of non-steroidal anti-inflammatory drug . It has the role of antibacterial drug . It has the role of antipruritic drug . It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor . It is also related to or classified as 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  . It is also related to or classified as imidazole antifungal drug , conazole antifungal drug .


The molecule <smiles>CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl</smiles> <smiles>CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl</smiles> is A member of the class of benzamides obtained by formal condensation of the carboxy group of 3,5-dichloro-4-methylbenzamide with the amino group of 3-amino-1-chloro-3-methylpentan-2-one.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , alpha-chloroketone .


The molecule <smiles>Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1</smiles> <smiles>Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1</smiles> is A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of sertaconazole. It is also related to or classified as 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  .


The molecule <smiles>Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1</smiles> <smiles>Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1</smiles> is A 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole that is the (R)-enantiomer of fenticonazole. It is also related to or classified as 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole  .


The molecule <smiles>CCNc1nc(CC)c(s1)C(=O)NC(C#N)c1cccs1</smiles> <smiles>CCNc1nc(CC)c(s1)C(=O)NC(C#N)c1cccs1</smiles> is A member of the class of aromatic amides obtained by formal condensation of the carboxy group of 4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxylic acid with the amino group of amino(2-thienyl)acetonitrile. It is also related to or classified as nitrile  . It is also related to or classified as thiophenes , aromatic amine , 1,3-thiazoles , secondary amino compound , aromatic amide .


The molecule <smiles>CCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO</smiles> <smiles>CCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO</smiles> is A cationic sphingoid that is the conjugate acid of tetradecasphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of tetradecasphingosine . It is also related to or classified as sphingoid base(1+)  .


The molecule <smiles>Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1</smiles> <smiles>Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1</smiles> is A 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of isoconazole. It is also related to or classified as 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  .


The molecule <smiles>Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1</smiles> <smiles>Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1</smiles> is A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as ether  . It is also related to or classified as imidazoles , monochlorobenzenes .


The molecule <smiles>Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> <smiles>Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1</smiles> is A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as ether  . It is also related to or classified as imidazoles .


The molecule <smiles>CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO</smiles> <smiles>CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO</smiles> is an organic cation that is the conjugate acid of tetradecaphytosphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of tetradecaphytosphingosine . It is also related to or classified as sphingoid base(1+)  . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO</smiles> <smiles>CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO</smiles> is A sphingoid that is the C14-analogue of phytosphingosine.   It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol , triol .