The molecule <smiles>C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)I</smiles> <smiles>C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)I</smiles> is 4-iodo-N-[2-(1-piperidinyl)ethyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br</smiles> is 5-(4-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .


The molecule <smiles>C1=CC(=CC=C1C#N)N=C2C(=NSS2)Cl</smiles> <smiles>C1=CC(=CC=C1C#N)N=C2C(=NSS2)Cl</smiles> is 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .


The molecule <smiles>C1=CC=C(C=C1)N2C(=O)C3=C(SC=C3C(=N2)C(=O)O)N</smiles> <smiles>C1=CC=C(C=C1)N2C(=O)C3=C(SC=C3C(=N2)C(=O)O)N</smiles> is 5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>CCCCOC(=O)CCN1C(=O)C(=CC2=CC=CC=C2)SC1=S</smiles> <smiles>CCCCOC(=O)CCN1C(=O)C(=CC2=CC=CC=C2)SC1=S</smiles> is 3-[4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]propanoic acid butyl ester. It is also related to or classified as thiazolidines , thiocarbonyl compound .


The molecule <smiles>O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1</smiles> <smiles>O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1</smiles> is sulfinpyrazone. It has the role of uricosuric drug . It is also related to or classified as sulfoxide  . It is also related to or classified as pyrazolidines .


The molecule <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC=CC=C4F</smiles> <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC=CC=C4F</smiles> is 6-[(2-fluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)C3=C4C=CSC4=NC=N3</smiles> is (4-chlorophenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aromatic ketone .


The molecule <smiles>C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)Br)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4</smiles> <smiles>C1CCC(CC1)(C(=O)NC2=CC=C(C=C2)Br)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4</smiles> is N-[1-[(4-bromoanilino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyridinecarboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(C)N1C=NC2=C1C=C(C=C2C(=O)N[C@H]3CN4CCC3CC4)Cl</smiles> <smiles>CC(C)N1C=NC2=C1C=C(C=C2C(=O)N[C@H]3CN4CCC3CC4)Cl</smiles> is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-1-propan-2-yl-4-benzimidazolecarboxamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C</smiles> <smiles>CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C</smiles> is 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound .


The molecule <smiles>CN(C)S(=O)(=O)C1=C(C)C=CC(=C1)[N+]([O-])=O</smiles> <smiles>CN(C)S(=O)(=O)C1=C(C)C=CC(=C1)[N+]([O-])=O</smiles> is A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM). It has the role of geroprotector . It has the role of bone density conservation agent . It has the role of EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor .  It is also related to or classified as sulfonamide  . It is also related to or classified as toluenes , C-nitro compound .


The molecule <smiles>COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1</smiles> <smiles>COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1</smiles> is A benzoate ester that is the methyl ester of 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid. It has the role of EC 2.2.1.6 (acetolactate synthase) inhibitor . It has the role of herbicide . Its functional parent is sulfometuron .   It is also related to or classified as N-sulfonylurea  . It is also related to or classified as benzoate ester , pyrimidines .


The molecule <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F</smiles> <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F</smiles> is 1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C=1(N(C(N(C2=CC(NS(C)(=O)=O)=C(Cl)C=C2Cl)N1)=O)C(F)F)C</smiles> <smiles>C=1(N(C(N(C2=CC(NS(C)(=O)=O)=C(Cl)C=C2Cl)N1)=O)C(F)F)C</smiles> is A member of the class of triazoles that is 5-oxo-1,2,4-triazole which is substituted at positions 1, 3, and 4 by 2,4-dichloro-5-[(methylsulfonyl)amino]phenyl, methyl, and difluoromethyl groups, respectively. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide to control broad-leaved weeds in soya and tobacco crops. Not approved for use within the European Union. It has the role of herbicide . It has the role of agrochemical . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor . It is also related to or classified as dichlorobenzene  . It is also related to or classified as sulfonamide  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as triazoles .


The molecule <smiles>CCCCCCCCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC</smiles> <smiles>CCCCCCCCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC</smiles> is N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-octadecenamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CSC=C4</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CSC=C4</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-(3-thiophenyl)thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .


The molecule <smiles>C1(=C(C=CC=C1)C(=O)O)C(NC2=CC=C(S(NC3=NC=CS3)(=O)=O)C=C2)=O</smiles> <smiles>C1(=C(C=CC=C1)C(=O)O)C(NC2=CC=C(S(NC3=NC=CS3)(=O)=O)C=C2)=O</smiles> is A sulfonamide incorporating 2-carboxybenzamido and 1,3-thiazol-2-yl moieties that is a broad-spectrum antibiotic indicated in the treatment of dysentery, colitis, gastroenteritis and intestinal surgery. Its functional parent is phthalic acid .    It is also related to or classified as sulfonamide  . It is also related to or classified as dicarboxylic acid monoamide , 1,3-thiazoles , sulfonamide antibiotic .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C#N</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C#N</smiles> is 4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrile. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .


The molecule <smiles>C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4</smiles> <smiles>C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4</smiles> is 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CN4</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CN4</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aryl sulfide .


The molecule <smiles>C1CN(CCC1C(=O)C2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1C(=O)C2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> is phenyl-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aromatic ketone .


The molecule <smiles>COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NNC(=S)NC3=CC=CC=C3</smiles> <smiles>COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NNC(=S)NC3=CC=CC=C3</smiles> is 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester. It is also related to or classified as pyrazoles , ring assembly .


The molecule <smiles>C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)F</smiles> <smiles>C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)F</smiles> is 4-fluoro-N-(3-pyridinyl)benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CC(=O)OC1=CC=CC=C1C(=O)NC2=CC(=O)C=CC2(OC)OC</smiles> <smiles>CC(=O)OC1=CC=CC=C1C(=O)NC2=CC(=O)C=CC2(OC)OC</smiles> is acetic acid [2-[[(6,6-dimethoxy-3-oxo-1-cyclohexa-1,4-dienyl)amino]-oxomethyl]phenyl] ester. Its functional parent is salicylamide .  It is also related to or classified as carboxylic ester  . It is also related to or classified as benzamides .


The molecule <smiles>CC1=CC(=NN1C2=NC(=C3C4=C(CCCC4)SC3=N2)NCCCO)C</smiles> <smiles>CC1=CC(=NN1C2=NC(=C3C4=C(CCCC4)SC3=N2)NCCCO)C</smiles> is 3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Cl</smiles> <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Cl</smiles> is (3S)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CCN(CC)C(=O)N[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C</smiles> <smiles>CCN(CC)C(=O)N[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C</smiles> is 3-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as biphenyls .


The molecule <smiles>COC1=C(C=CC=C1O)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O</smiles> <smiles>COC1=C(C=CC=C1O)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O</smiles> is 3-[(R)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=NC=CN=C4</smiles> <smiles>C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=NC=CN=C4</smiles> is N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyrazinecarboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)COCC4=CC=C(C=C4)OC)C)CN(C)S(=O)(=O)C5=CC=C(C=C5)F</smiles> <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)COCC4=CC=C(C=C4)OC)C)CN(C)S(=O)(=O)C5=CC=C(C=C5)F</smiles> is 1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C1CN(CCN1C(=O)C2=C(C=CC=C2F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4</smiles> <smiles>C1CN(CCN1C(=O)C2=C(C=CC=C2F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4</smiles> is (2,6-difluorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methanone. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>[H][C@]12[C@H](O)CCCN1C[C@@H](O)[C@H]2O</smiles> <smiles>[H][C@]12[C@H](O)CCCN1C[C@@H](O)[C@H]2O</smiles> is an indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. It has the role of antineoplastic agent . It has the role of immunological adjuvant . It has the role of EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor . It has the role of plant metabolite . It is also related to or classified as indolizidine alkaloid .


The molecule <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2</smiles> <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2</smiles> is (3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>COC1=C2C(=CC(=C1C=O)O)C(=O)C3=CC=CC=C3C2=O</smiles> <smiles>COC1=C2C(=CC(=C1C=O)O)C(=O)C3=CC=CC=C3C2=O</smiles> is 3-hydroxy-1-methoxy-9,10-dioxo-2-anthracenecarboxaldehyde. It is also related to or classified as aldehyde  . It is also related to or classified as monohydroxyanthraquinone .


The molecule <smiles>[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CC=C(C=C1NC(=O)C1=CC(NC(=O)NC2=CC=CC(=C2)C(=O)NC2=CC(=CC=C2C)C(=O)NC2=CC=C(C3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)=CC=C1)C(=O)NC1=CC=C(C2=CC(=CC(=C12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CC=C(C=C1NC(=O)C1=CC(NC(=O)NC2=CC=CC(=C2)C(=O)NC2=CC(=CC=C2C)C(=O)NC2=CC=C(C3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)=CC=C1)C(=O)NC1=CC=C(C2=CC(=CC(=C12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O</smiles> is an organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness. It has the role of antinematodal drug . It has the role of antineoplastic agent . It has the role of trypanocidal drug . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It has the role of GABA-gated chloride channel antagonist . It has the role of angiogenesis inhibitor . It has the role of GABA antagonist . It has the role of ryanodine receptor agonist . It has the role of apoptosis inhibitor . It has the role of purinergic receptor P2 antagonist . It is also related to or classified as organic sodium salt .


The molecule <smiles>CN1C2=C(C3=C1C(=O)N(N=C3)CC4=C(C=CC=C4Cl)F)SC(=C2)Br</smiles> <smiles>CN1C2=C(C3=C1C(=O)N(N=C3)CC4=C(C=CC=C4Cl)F)SC(=C2)Br</smiles> is 2-bromo-6-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC</smiles> <smiles>COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC</smiles> is 2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N</smiles> <smiles>CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N</smiles> is 5-amino-N-tert-butyl-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxamide. It is also related to or classified as thienopyrimidine  . It is also related to or classified as pyrimidines .


The molecule <smiles>CN(C)C[C@@H](NC(=O)N1CC2=C(NN=C2NC2=NC(C)=NC3=C2SC=C3)C1(C)C)C1=CC=CC=C1</smiles> <smiles>CN(C)C[C@@H](NC(=O)N1CC2=C(NN=C2NC2=NC(C)=NC3=C2SC=C3)C1(C)C)C1=CC=CC=C1</smiles> is A member of the class of thienopyrimidines that is thieno[3,2-d]pyrimidine substituted by methyl and (5-{[(1S)-2-(dimethylamino)-1-phenylethyl]carbamoyl}-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)amino groups at positions 2 and 4, respectively. It is a potent inhibitor of PAK4 and inhibits the growth of multiple human tumor xenografts. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as thienopyrimidine  . It is also related to or classified as benzenes , pyrrolopyrazole , ureas , secondary amino compound , tertiary amino compound .


The molecule <smiles>CC1=NC(=CS1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl</smiles> <smiles>CC1=NC(=CS1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl</smiles> is N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)COC(=O)C(C)(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F</smiles> <smiles>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)COC(=O)C(C)(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F</smiles> is 2,2-dimethylpropanoic acid [(2S)-2-[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-12-yl]propyl] ester. It is also related to or classified as lactam  . It is also related to or classified as pivalate ester  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC</smiles> <smiles>CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC</smiles> is carbamic acid [6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>COC1=CC2OC(=CC(=O)C2C(O)=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1</smiles> <smiles>COC1=CC2OC(=CC(=O)C2C(O)=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1</smiles> is A  flavone C-glycoside that is  isoorientin in which the hydroxy group at position 7 is replaced by a methoxy group. Its functional parent is isoorientin . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as trihydroxyflavone , flavone C-glycoside .


The molecule <smiles>CNC(=O)C1=C(C=CC=C1F)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCN(C5=C4)C(=O)CN(C)C)OC</smiles> <smiles>CNC(=O)C1=C(C=CC=C1F)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCN(C5=C4)C(=O)CN(C)C)OC</smiles> is 2-[[2-[[1-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C1CN(CCC1CC2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1CC2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3</smiles> is 4-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as piperidines .


The molecule <smiles>CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC</smiles> <smiles>CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC</smiles> is LSM-4258. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC</smiles> <smiles>CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC</smiles> is LSM-4236.  It is also related to or classified as alkaloid  . It is also related to or classified as acetamides , carbotricyclic compound .


The molecule <smiles>CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O</smiles> <smiles>CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O</smiles> is 1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]methyl]-1-piperazinyl]-2-hydroxy-1-propanone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3</smiles> <smiles>C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3</smiles> is 5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione. It is also related to or classified as organofluorine compound  . It is also related to or classified as halophenol  .


The molecule <smiles>COC1=CC=CC=C1C=CC(=O)O</smiles> <smiles>COC1=CC=CC=C1C=CC(=O)O</smiles> is 3-(2-methoxyphenyl)-2-propenoic acid. Its functional parent is 4-coumaric acid . It is also related to or classified as hydroxycinnamic acid .


The molecule <smiles>COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\CO</smiles> <smiles>COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\CO</smiles> is A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It has the role of autophagy inducer . It has the role of antidepressant . It has the role of hepatoprotective agent . It has the role of neuroprotective 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 trans-sinapyl alcohol . It is also related to or classified as primary alcohol  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as dimethoxybenzene , monosaccharide derivative .


The molecule <smiles>CCC(C)[C@@H](CO[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@H](CS)N</smiles> <smiles>CCC(C)[C@@H](CO[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@H](CS)N</smiles> is (2S)-2-[[(2S)-2-[(2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester. It is also related to or classified as secondary carboxamide  . It is also related to or classified as thiol  . It is also related to or classified as isopropyl ester  . It is also related to or classified as sulfone  .


The molecule <smiles>CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl</smiles> <smiles>CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl</smiles> is 5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .


The molecule <smiles>C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2</smiles> <smiles>C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2</smiles> is an N-alkylpiperazine that is butane which is substituted by a 3,5-dioxopiperazin-1-yl group at positions 2 and 3. The meso isomer. It has the role of antineoplastic agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of apoptosis inducer . It is also related to or classified as N-alkylpiperazine .


The molecule <smiles>C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)O</smiles> <smiles>C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)O</smiles> is 5-[amino(carboxy)methyl]-2-hydroxybenzoic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .


The molecule <smiles>CCOC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CN=CC=C4</smiles> <smiles>CCOC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CN=CC=C4</smiles> is 5-chloro-7-[(4-ethoxyphenyl)-(3-pyridinylamino)methyl]-8-quinolinol.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .


The molecule <smiles>CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC</smiles> <smiles>CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC</smiles> is LSM-4295. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC4=CC=CC=C4</smiles> <smiles>C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC4=CC=CC=C4</smiles> is 2-(3-phenyl-1-indazolyl)acetic acid phenyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O</smiles> <smiles>CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O</smiles> is octanoic acid [6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methyl-1-oxobut-2-enoxy)-2-oxo-4-(1-oxobutoxy)-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] ester. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>CC(=O)O[C@@H]1CC2[C@](C=CC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C</smiles> <smiles>CC(=O)O[C@@H]1CC2[C@](C=CC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C</smiles> is acetic acid [(1R,4bR,5R,10aR,12aR)-1-(3-furanyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydro-1H-naphtho[2,1-f][2]benzopyran-5-yl] ester. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CCC(=O)NC1CC2C(C3=C(C(=CC=C3)C)NC2=O)OC1=O</smiles> <smiles>CCC(=O)NC1CC2C(C3=C(C(=CC=C3)C)NC2=O)OC1=O</smiles> is N-(7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl)propanamide. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .


The molecule <smiles>C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C</smiles> <smiles>C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C</smiles> is (3S,10R,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CC(=O)OCC1=C(N2C([C@@H](C2=O)N)SC1)C(=O)O</smiles> <smiles>CC(=O)OCC1=C(N2C([C@@H](C2=O)N)SC1)C(=O)O</smiles> is (7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C1=CC(=C(C=C1C(C(=O)O)N)O)C(=O)O</smiles> <smiles>C1=CC(=C(C=C1C(C(=O)O)N)O)C(=O)O</smiles> is 4-[amino(carboxy)methyl]-2-hydroxybenzoic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .


The molecule <smiles>C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl</smiles> <smiles>C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl</smiles> is 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)[O-]</smiles> <smiles>C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)[O-]</smiles> is (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol. It is also related to or classified as tertiary amine oxide  . It is also related to or classified as isoquinolines .


The molecule <smiles>CCOC(=O)CSC1=NC(=O)C(=CC2=CC=C(C=C2)Cl)S1</smiles> <smiles>CCOC(=O)CSC1=NC(=O)C(=CC2=CC=C(C=C2)Cl)S1</smiles> is 2-[[5-[(4-chlorophenyl)methylidene]-4-oxo-2-thiazolyl]thio]acetic acid ethyl ester. It is also related to or classified as organochlorine compound  .


The molecule <smiles>[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C</smiles> <smiles>[H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C</smiles> is A trichothecene mycotoxin produced by fungi of the genus Fusarium. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals. It has the role of mycotoxin . It has the role of neurotoxin . It has the role of cardiotoxic agent . It has the role of DNA synthesis inhibitor . It has the role of apoptosis inducer . It has the role of fungal metabolite . It has the role of environmental contaminant . Its functional parent is HT-2 toxin .  It is also related to or classified as acetate ester  . It is also related to or classified as trichothecene  . It is also related to or classified as organic heterotetracyclic compound .


The molecule <smiles>BrC1C(Br)C(Br)C(Br)C(Br)C1Br</smiles> <smiles>BrC1C(Br)C(Br)C(Br)C(Br)C1Br</smiles> is A bromohydrocarbon that is cyclohexane in which the hydrogen at positions 1,2,3,4,5 and 6 have been replaced by bromo groups. It is a potent inhibitor of JAK2 tyrosine kinase autophosphorylation. It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as bromohydrocarbon , bromoalkane .


The molecule <smiles>C=CCNC1=NC=NC2=C1C=C(C=C2)Br</smiles> <smiles>C=CCNC1=NC=NC2=C1C=C(C=C2)Br</smiles> is A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy. It has the role of autophagy inducer . It is also related to or classified as organobromine compound  . It is also related to or classified as quinazolines , secondary amino compound .


The molecule <smiles>CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OC</smiles> <smiles>CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OC</smiles> is 2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(CC(=O)O)CN</smiles> <smiles>CC(CC(=O)O)CN</smiles> is 4-amino-3-methylbutanoic acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]</smiles> <smiles>C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]</smiles> is N-[(5-nitro-2-thiophenyl)methylideneamino]-2-pyridinecarboxamide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .


The molecule <smiles>CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)C)C</smiles> <smiles>CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)C)C</smiles> is 2-(1,3-dioxo-2-isoindolyl)acetic acid [3-acetyl-2-methyl-1-(4-methylphenyl)-5-indolyl] ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3OC)OC)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O</smiles> <smiles>COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3OC)OC)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O</smiles> is 5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one. It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-methoxyisoflavones  .


The molecule <smiles>[H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1</smiles> <smiles>[H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1</smiles> is tamoxifen citrate. It has the role of anticoronaviral agent . It has the role of angiogenesis inhibitor . It is also related to or classified as citrate salt .


The molecule <smiles>COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC</smiles> <smiles>COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC</smiles> is 3-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>CC1=C(C(=CC=C1)C)NC(=O)C2(CCCC2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=NN=N5</smiles> <smiles>CC1=C(C(=CC=C1)C)NC(=O)C2(CCCC2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=NN=N5</smiles> is N-[1-[(2,6-dimethylanilino)-oxomethyl]cyclopentyl]-N-(phenylmethyl)-4-(1-tetrazolyl)benzamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .


The molecule <smiles>CCC1=C(NC(=S)C(=C1C)C#N)C</smiles> <smiles>CCC1=C(NC(=S)C(=C1C)C#N)C</smiles> is 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .


The molecule <smiles>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCC=CC2=O</smiles> <smiles>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCC=CC2=O</smiles> is LSM-4526. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>COC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=CC=C3</smiles> <smiles>COC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=CC=C3</smiles> is 3,6-dimethoxy-2-phenyl-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>COc1ccc(cc1)-c1oc2c(OC)c(OC)cc(O)c2c(=O)c1O</smiles> <smiles>COc1ccc(cc1)-c1oc2c(OC)c(OC)cc(O)c2c(=O)c1O</smiles> is A member of the class of  flavonols that is  flavonol substituted by an additional hydroxy group at position 5 and methoxy groups at positions 7, 8 and 4' respectively. It has the role of plant metabolite . Its functional parent is flavonol .  It is also related to or classified as flavonols  . It is also related to or classified as trimethoxyflavone , dihydroxyflavone .


The molecule <smiles>C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC=C(C=C2)C(F)(F)F</smiles> <smiles>C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC=C(C=C2)C(F)(F)F</smiles> is 2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid. It is also related to or classified as dialkylarylamine , tertiary amino compound .


The molecule <smiles>C1=CC2=C(C=CC(=C2N=C1)NC(=O)CCC(=O)O)Br</smiles> <smiles>C1=CC2=C(C=CC(=C2N=C1)NC(=O)CCC(=O)O)Br</smiles> is 4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .


The molecule <smiles>CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br</smiles> <smiles>CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br</smiles> is 5-bromo-N-[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .


The molecule <smiles>CCOC1=CC=CC=C1C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C</smiles> <smiles>CCOC1=CC=CC=C1C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C</smiles> is 2-ethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester. It is also related to or classified as pyrazoles , ring assembly .


The molecule <smiles>CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4</smiles> <smiles>CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4</smiles> is N-(4-ethoxyphenyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanamide. It is also related to or classified as thienopyrimidine  . It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>CC(=O)NC1=NC(=NC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=CC=C3</smiles> <smiles>CC(=O)NC1=NC(=NC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=CC=C3</smiles> is acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O</smiles> <smiles>C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O</smiles> is 4-[(1,3-dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid. It is also related to or classified as naphthalenes , sulfonic acid derivative .


The molecule <smiles>COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3)O)OC)S2</smiles> <smiles>COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3)O)OC)S2</smiles> is 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-thiazolone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CCCN(CCC)C1=NC(=NC2=CC=CC=C21)Cl</smiles> <smiles>CCCN(CCC)C1=NC(=NC2=CC=CC=C21)Cl</smiles> is A member of the class of quinazolines that is quinazoline which is substituted by a chloro group and a dipropylnitrilo group at positions 2 and 4, respectively. It is also related to or classified as organochlorine compound  . It is also related to or classified as quinazolines , tertiary amino compound .


The molecule <smiles>COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC</smiles> <smiles>COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC</smiles> is 6-methoxy-2-(2-methoxyphenyl)-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO</smiles> <smiles>C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO</smiles> is (2R,3R,4R,5S,6R)-5-[[(2R,3R,4R,5S,6R)-5-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>[H][C@@]12CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C</smiles> <smiles>[H][C@@]12CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C</smiles> is A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15. It has the role of metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pentacyclic triterpenoid .


The molecule <smiles>[Na+].[Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1\N=N\c1ccc(cc1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O</smiles> <smiles>[Na+].[Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1\N=N\c1ccc(cc1)S([O-])(=O)=O)c1ccc(cc1)S([O-])(=O)=O</smiles> is an organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring. 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>COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3</smiles> <smiles>COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3</smiles> is 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester. It is also related to or classified as indolyl carboxylic acid .


The molecule <smiles>N1C2=CC=CC=C2OC2=CC=CC=C12</smiles> <smiles>N1C2=CC=CC=C2OC2=CC=CC=C12</smiles> is A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6. It has the role of ferroptosis inhibitor . It has the role of radical scavenger . It is also related to or classified as phenoxazine .


The molecule <smiles>CCOC(=O)C1=NNC(=S)NC1=O</smiles> <smiles>CCOC(=O)C1=NNC(=S)NC1=O</smiles> is 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid ethyl ester. It is also related to or classified as triazines , thiocarbonyl compound .


The molecule <smiles>CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]</smiles> <smiles>CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]</smiles> is 2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester. It is also related to or classified as aromatic ether , C-nitro compound .


The molecule <smiles>CCC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CC(=O)OC</smiles> <smiles>CCC1=CC2=C(C=C1)N(C3=NC4=CC=CC=C4N=C23)CC(=O)OC</smiles> is 2-(9-ethyl-6-indolo[3,2-b]quinoxalinyl)acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C</smiles> <smiles>C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C</smiles> is A pentacyclic triterpenoid that is taraxastane with a beta-hydroxy group at position 3. It has the role of metabolite . It has the role of anti-inflammatory agent .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pentacyclic triterpenoid .


The molecule <smiles>CCN(CC)S(=O)(=O)C1=CC=CC2=CC(=C(C=C21)O)C(=O)O</smiles> <smiles>CCN(CC)S(=O)(=O)C1=CC=CC2=CC(=C(C=C21)O)C(=O)O</smiles> is 5-(diethylsulfamoyl)-3-hydroxy-2-naphthalenecarboxylic acid. It is also related to or classified as naphthalenes , sulfonic acid derivative .


The molecule <smiles>CC1=CC=CC=C1N2CC(=O)NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C</smiles> <smiles>CC1=CC=CC=C1N2CC(=O)NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C</smiles> is 8,10-dimethyl-4-(2-methylphenyl)-1,3-dihydropyrido[2,3]thieno[2,4-d][1,4]diazepine-2,5-dione. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>COC1=CC(=C2C(=O)C[C@@H](OC2=C1)C3=CC=CC=C3)O</smiles> <smiles>COC1=CC(=C2C(=O)C[C@@H](OC2=C1)C3=CC=CC=C3)O</smiles> is (2R)-5-hydroxy-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>C1CCN(C1)C2=NN(N=N2)CC(=NO)C3=CC=C(C=C3)Cl</smiles> <smiles>C1CCN(C1)C2=NN(N=N2)CC(=NO)C3=CC=C(C=C3)Cl</smiles> is 1-(4-chlorophenyl)-2-[5-(1-pyrrolidinyl)-2-tetrazolyl]ethanone oxime.  It is also related to or classified as ketoxime  . It is also related to or classified as dialkylarylamine , tetrazoles , pyrrolidines , tertiary amino compound .


The molecule <smiles>CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)C)O</smiles> <smiles>CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)C)O</smiles> is 2,5-ditert-butyl-4-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>C1CC(=O)O[C@@H](CNC(=O)[C@@H](CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3</smiles> <smiles>C1CC(=O)O[C@@H](CNC(=O)[C@@H](CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3</smiles> is N-[(4-chlorophenyl)methyl]-2-[(2R,6S)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@H]1[C@@H]([C@H](N(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O</smiles> <smiles>C[C@H]1[C@@H]([C@H](N(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O</smiles> is (3S,4R,5S)-5-methyl-2,3-diphenyl-4-isoxazolidinecarboxylic acid. It is also related to or classified as oxazole  . It is also related to or classified as organonitrogen heterocyclic compound .


The molecule <smiles>CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=CC=CC=C4C=C3)C#N</smiles> <smiles>CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=CC=CC=C4C=C3)C#N</smiles> is LSM-4709. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .


The molecule <smiles>CC(C)(C)C(=O)OCOP(=O)(C(C)(OC1=CC=C(C=C1)O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C</smiles> <smiles>CC(C)(C)C(=O)OCOP(=O)(C(C)(OC1=CC=C(C=C1)O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C</smiles> is 2,2-dimethylpropanoic acid [[1-[bis[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]-1-(4-hydroxyphenoxy)ethyl]-[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester. Its functional parent is tetracarboxylic acid . It is also related to or classified as pivalate ester  . It is also related to or classified as organooxygen compound .


The molecule <smiles>C1=C(C=NC=C1Br)C(=O)NCCC(=O)O</smiles> <smiles>C1=C(C=NC=C1Br)C(=O)NCCC(=O)O</smiles> is 3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]propanoic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)O)O</smiles> <smiles>COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)O)O</smiles> is 2-(4-hydroxyanilino)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-thiazolone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CC(=O)O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1</smiles> <smiles>CC(=O)O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1</smiles> is an acetate ester obtained by formal condensation between the 3-hydroxy group of (+)-taxifolin and acetic acid. Its functional parent is (+)-taxifolin . It is also related to or classified as 4'-hydroxyflavanones  .  It is also related to or classified as acetate ester  . It is also related to or classified as tetrahydroxyflavanone , 3'-hydroxyflavanones .


The molecule <smiles>CCC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)NC(=S)N3</smiles> <smiles>CCC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)NC(=S)N3</smiles> is 5-ethyl-3-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)-1H-indol-2-one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO</smiles> <smiles>CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO</smiles> is A pyridoindole that is 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole which is substituted on the tetrahydropyridine nitrogen by a methyl group and on the indole nitrogen by a p-[N-(hydroxy)aminocarbonyl]benzyl group. It is a histone deacetylase 6 (HDAC6) inhibitor that is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold). It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It is also related to or classified as hydroxamic acid , pyridoindole , tertiary amino compound .


The molecule <smiles>COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)O</smiles> <smiles>COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)O</smiles> is 2-amino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-thiazolone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4)NC5=CC=CC=C5</smiles> <smiles>C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4)NC5=CC=CC=C5</smiles> is 2-furancarboxylic acid [3-[[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>COC1=CC=C(C=C1)C#CC2=CCCN(C2=O)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC</smiles> <smiles>COC1=CC=C(C=C1)C#CC2=CCCN(C2=O)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC</smiles> is LSM-4819. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=CC=C4)F</smiles> <smiles>C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=CC=C4)F</smiles> is A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and (3-fluorophenyl)nitrilo groups, respectively.     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as pyridines , quinazolines , substituted aniline , secondary amino compound , aromatic amine .


The molecule <smiles>CN(CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC)CCOC3=C(C=C(C=C3OC)C=CC(=O)N4CCC=CC4=O)OC</smiles> <smiles>CN(CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC)CCOC3=C(C=C(C=C3OC)C=CC(=O)N4CCC=CC4=O)OC</smiles> is LSM-4821. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>CCOC(=O)CCC1=NNC(=O)NC1=O</smiles> <smiles>CCOC(=O)CCC1=NNC(=O)NC1=O</smiles> is 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoic acid ethyl ester. It is also related to or classified as fatty acid ester  .


The molecule <smiles>CCN1C2=CC=CC=C2C3(C1=O)NNC4=CC=CC=C4O3</smiles> <smiles>CCN1C2=CC=CC=C2C3(C1=O)NNC4=CC=CC=C4O3</smiles> is 1'-ethyl-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)C)O)OC)C)C)C)OC</smiles> <smiles>C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)C)O)OC)C)C)C)OC</smiles> is LSM-4886. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>CCCCC1=CC2=C(NC(NC(=O)OC)=N2)C=C1</smiles> <smiles>CCCCC1=CC2=C(NC(NC(=O)OC)=N2)C=C1</smiles> is A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (methoxycarbonyl)amino and butyl groups at positions 2 and 5, respectively. It is a potent inhibitor of microtubule assembly and also exhibits anthelminthic activity. It has the role of anthelminthic drug . It has the role of antinematodal drug . It has the role of antineoplastic agent . It has the role of microtubule-destabilising agent . It is also related to or classified as benzimidazoles , carbamate ester .


The molecule <smiles>COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1</smiles> <smiles>COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1</smiles> is A monohydroxyflavone that is  flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. It has the role of antineoplastic agent . It has the role of antidiarrhoeal drug . It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as monohydroxyflavone .


The molecule <smiles>CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]</smiles> <smiles>CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]</smiles> is 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .


The molecule <smiles>CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl</smiles> <smiles>CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl</smiles> is tebufenpyrad. It has the role of mitochondrial NADH:ubiquinone reductase inhibitor . It is also related to or classified as pyrazole insecticide , pyrazole acaricide .


The molecule <smiles>CCOC1=CC=CC=C1N1C(=O)C2=CC=CC=C2N=C1C(C)N1CCN(CC1)C(=O)COC1=CC=C(Cl)C=C1</smiles> <smiles>CCOC1=CC=CC=C1N1C(=O)C2=CC=CC=C2N=C1C(C)N1CCN(CC1)C(=O)COC1=CC=C(Cl)C=C1</smiles> is A member of the class of quinazolines that is quinazolin-4(3H)-one in which the hydrogens at positions 2 and 3 are replaced by 1-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}ethyl and 2-ethoxyphenyl groups, respectively. It is an inhibitor of voltage-dependent anion-selective channels (VDAC2 and VDAC3) and a potent ferroptosis inducer. It has the role of ferroptosis inducer . It has the role of voltage-dependent anion channel inhibitor . It has the role of antineoplastic agent . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as aromatic ether , quinazolines , diether , N-acylpiperazine , N-alkylpiperazine , monochlorobenzenes .


The molecule <smiles>CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)CCN(C)C</smiles> <smiles>CC(=O)OC1=CC2=C(C=C1)OC=C2C(=O)CCN(C)C</smiles> is acetic acid [3-[3-(dimethylamino)-1-oxopropyl]-5-benzofuranyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O</smiles> <smiles>C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O</smiles> is 5'-nitro-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C1=CC=C(C=C1)CN2C3=CC=CC=C3C4(C2=O)NNC5=CC=CC=C5O4</smiles> <smiles>C1=CC=C(C=C1)CN2C3=CC=CC=C3C4(C2=O)NNC5=CC=CC=C5O4</smiles> is 1'-(phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indole]one. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CN(C)CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC</smiles> <smiles>CN(C)CCOC1=C(C=C(C=C1OC)C=CC(=O)N2CCC=CC2=O)OC</smiles> is LSM-4818. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3=CC=CC=C3F</smiles> <smiles>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3=CC=CC=C3F</smiles> is LSM-4820. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O</smiles> <smiles>COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O</smiles> is A glycosyloxyisoflavone that is  tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is tectorigenin . It is also related to or classified as 7-hydroxyisoflavones 7-O-beta-D-glucoside  . It is also related to or classified as hydroxyisoflavone , methoxyisoflavone , monosaccharide derivative .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H]([C@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F</smiles> <smiles>C[C@]12CC[C@H]3[C@@H]([C@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F</smiles> is (7R,8S,9S,13S,14R,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol. It has the role of estrogen . It is also related to or classified as steroid  .


The molecule <smiles>COC1=CC=C(C=C1)C(=O)CC1(O)C(=O)NC2=C(Cl)C=CC(Cl)=C12</smiles> <smiles>COC1=CC=C(C=C1)C(=O)CC1(O)C(=O)NC2=C(Cl)C=CC(Cl)=C12</smiles> is A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one substituted by hydroxy, 2-(4-methoxyphenyl)-2-oxoethyl, chloro, and chloro groups at positions 3, 3, 4, and 7, respectively. It blocks RNA helicase A binding to EWS-FLI1, induces apoptosis, and exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of apoptosis inducer .   It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as indolones , monomethoxybenzene , aromatic ketone .


The molecule <smiles>O=C(CCCCCCCN1C=C(N=N1)C1=CN=CC=C1)NC1=CC=CC=C1C1=CC=CC=C1</smiles> <smiles>O=C(CCCCCCCN1C=C(N=N1)C1=CN=CC=C1)NC1=CC=CC=C1C1=CC=CC=C1</smiles> is A biphenyl that is substituted by a {8-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]octanoyl}amino group at position 2. It has the role of autophagy inducer . It has the role of EC 2.4.2.12 (nicotinamide phosphoribosyltransferase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as biphenyls , pyridines , triazoles .


The molecule <smiles>CCC(C)N1CCC2(CC1)NC3=C4C(=O)C5=C(C(=C6C(=C5C3=N2)C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O</smiles> <smiles>CCC(C)N1CCC2(CC1)NC3=C4C(=O)C5=C(C(=C6C(=C5C3=N2)C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O</smiles> is LSM-5004. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C</smiles> <smiles>CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C</smiles> is A member of the class of  benzimidazoles  used widely in the treatment of hypertension. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It has the role of antihypertensive agent . It has the role of xenobiotic . It has the role of angiotensin receptor antagonist . It has the role of environmental contaminant . It is also related to or classified as carboxybiphenyl , benzimidazoles , biphenyls .


The molecule <smiles>CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N</smiles> <smiles>CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N</smiles> is 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound .


The molecule <smiles>C[C@]12CC[C@]3([C@]([C@@]1(CC[C@]2(C)O)[H])(CC[C@@]4([C@@]3(CC(C(=O)C4)C=O)C)[H])[H])[H]</smiles> <smiles>C[C@]12CC[C@]3([C@]([C@@]1(CC[C@]2(C)O)[H])(CC[C@@]4([C@@]3(CC(C(=O)C4)C=O)C)[H])[H])[H]</smiles> is (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxaldehyde.  It is also related to or classified as 3-oxo-5alpha-steroid  . It is also related to or classified as steroid aldehyde .


The molecule <smiles>CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC</smiles> <smiles>CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC</smiles> is N-[6-(propan-2-ylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester. It is also related to or classified as benzimidazoles , carbamate ester .


The molecule <smiles>C[C@]1(CO[C@H]([C@@H]([C@@H]1NC)O)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2O)OC3C(CC=C(O3)CN)N)N)N)O</smiles> <smiles>C[C@]1(CO[C@H]([C@@H]([C@@H]1NC)O)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2O)OC3C(CC=C(O3)CN)N)N)N)O</smiles> is (2S,3R,4S,5S)-2-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>COC1=CC(=CC(=C1OCCN(CCOC2=C(C=C(C=C2OC)C=CC(=O)N3CCC=CC3=O)OC)CCOC4=C(C=C(C=C4OC)C=CC(=O)N5CCC=CC5=O)OC)OC)C=CC(=O)N6CCC=CC6=O</smiles> <smiles>COC1=CC(=CC(=C1OCCN(CCOC2=C(C=C(C=C2OC)C=CC(=O)N3CCC=CC3=O)OC)CCOC4=C(C=C(C=C4OC)C=CC(=O)N5CCC=CC5=O)OC)OC)C=CC(=O)N6CCC=CC6=O</smiles> is LSM-4925. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>CC1=NC(=C(C(C1C(=O)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C</smiles> <smiles>CC1=NC(=C(C(C1C(=O)OCCOC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C</smiles> is LSM-5011. It is also related to or classified as 2-methoxyethyl ester  . It is also related to or classified as dihydropyridine  .


The molecule <smiles>CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O</smiles> <smiles>CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O</smiles> is butanedioic acid O4-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester O1-ethyl ester. It is also related to or classified as aminoglycoside .


The molecule <smiles>CN[C@H]1[C@H](C2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)OC1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O</smiles> <smiles>CN[C@H]1[C@H](C2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)OC1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O</smiles> is (2R,3R,4S,5S,6S)-2-[[(3S,4R,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>COc1cc(OC)c2[C@H](O)C[C@H](Oc2c1CC=C(C)C)c1ccccc1</smiles> <smiles>COc1cc(OC)c2[C@H](O)C[C@H](Oc2c1CC=C(C)C)c1ccccc1</smiles> is A hydroxyflavan that is  (2S)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively. It has the role of plant metabolite . It is also related to or classified as hydroxyflavan , methoxyflavan .


The molecule <smiles>Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2</smiles> <smiles>Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2</smiles> is temoporfin. It has the role of photosensitizing agent . It is also related to or classified as chlorins  .


The molecule <smiles>CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@H]5[C@]6([C@@]([C@@H](C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]</smiles> <smiles>CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@H]5[C@]6([C@@]([C@@H](C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]</smiles> is cobalt(3+) [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1S,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate cyanide. It is also related to or classified as cobalt corrinoid .


The molecule <smiles>CC=C1C(=O)CC2[C@]1(CCC3C2CCC4=CC(=O)CC[C@@]34C)C</smiles> <smiles>CC=C1C(=O)CC2[C@]1(CCC3C2CCC4=CC(=O)CC[C@@]34C)C</smiles> is LSM-5093. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=C2C=CC(=O)OC(C)(C)C</smiles> <smiles>CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=C2C=CC(=O)OC(C)(C)C</smiles> is 2,6-dimethyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as cinnamate ester .


The molecule <smiles>CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC3=NON=C32)C(=O)OC(C)C)C</smiles> <smiles>CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC3=NON=C32)C(=O)OC(C)C)C</smiles> is 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester. It is also related to or classified as methyl ester  . It is also related to or classified as isopropyl ester  . It is also related to or classified as benzoxadiazole .


The molecule <smiles>CC1C=CC=C(C(=O)NC2C(=CNN3CCN(CC3)C)C(=O)C4=C5C(=C(C(=C4C2=O)O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C</smiles> <smiles>CC1C=CC=C(C(=O)NC2C(=CNN3CCN(CC3)C)C(=O)C4=C5C(=C(C(=C4C2=O)O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C</smiles> is LSM-5167. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C</smiles> <smiles>Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C</smiles> is Terbacil. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .


The molecule <smiles>CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O</smiles> <smiles>CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O</smiles> is 2-naphthalenesulfonic acid propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester. It is also related to or classified as stilbenoid .


The molecule <smiles>COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1</smiles> <smiles>COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1</smiles> is terazosin. It has the role of antineoplastic agent . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It is also related to or classified as furans , piperazines , quinazolines , primary amino compound .


The molecule <smiles>CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]</smiles> <smiles>CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]</smiles> is magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide. It is also related to or classified as sulfoxide  . It is also related to or classified as benzimidazoles .


The molecule <smiles>C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O.S(O)(O)(=O)=O.C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O</smiles> <smiles>C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O.S(O)(O)(=O)=O.C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O</smiles> is terbutaline sulfate. Its functional parent is terbutaline . It is also related to or classified as ethanolamine sulfate salt .


The molecule <smiles>CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C</smiles> <smiles>CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C</smiles> is 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(C)C)C</smiles> <smiles>CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(C)C)C</smiles> is 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-methylpropyl) ester. It is also related to or classified as dihydropyridine  .


The molecule <smiles>CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C</smiles> <smiles>CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C</smiles> is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide. It is also related to or classified as sulfonamide  . It is also related to or classified as thiadiazoles .


The molecule <smiles>Oc1ccc(cc1)N=C1C=C(Cl)C(=O)C(Cl)=C1</smiles> <smiles>Oc1ccc(cc1)N=C1C=C(Cl)C(=O)C(Cl)=C1</smiles> is A  quinone imine that is indophenol substituted by chloro groups at positions 2 and 6. It has the role of reagent . It has the role of dye . Its functional parent is indophenol . It is also related to or classified as phenols  . It is also related to or classified as organochlorine compound  . It is also related to or classified as quinone imine .


The molecule <smiles>C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2</smiles> <smiles>C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2</smiles> is 3-[[oxo(pyridin-4-yl)methyl]hydrazo]-N-(phenylmethyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(C)OC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O</smiles> <smiles>CC(C)OC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O</smiles> is 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester. It is also related to or classified as prostanoid  . It is also related to or classified as isopropyl ester  .


The molecule <smiles>C=1(OC[C@H]2[C@](C=3C=CC(=CC3)F)(CCN(C2)C)[H])C=C4C(OCO4)=CC1</smiles> <smiles>C=1(OC[C@H]2[C@](C=3C=CC(=CC3)F)(CCN(C2)C)[H])C=C4C(OCO4)=CC1</smiles> is A member of the class of benzodioxoles that is paroxetine in which the piperidine hydrogen is substituted by a methyl group. It is a drug impurity of the antidepressant, paroxetine. It has the role of impurity . It has the role of serotonin uptake inhibitor . It has the role of apoptosis inducer . Its functional parent is paroxetine .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , aromatic ether , benzodioxoles , tertiary amino compound .


The molecule <smiles>C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)C)O)OC)C)C)C)OC</smiles> <smiles>C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)C)O)OC)C)C)C)OC</smiles> is LSM-5313. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O</smiles> <smiles>C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O</smiles> is (6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. It is also related to or classified as cephalosporin  . It is also related to or classified as ketoxime  . It is also related to or classified as 1,3-thiazoles .


The molecule <smiles>C1[C@@H]2N(C1=O)[C@H](C(=CCO)O2)C(=O)O</smiles> <smiles>C1[C@@H]2N(C1=O)[C@H](C(=CCO)O2)C(=O)O</smiles> is (2R,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C</smiles> <smiles>CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C</smiles> is 2,6-dimethyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as cinnamate ester .


The molecule <smiles>C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O</smiles> <smiles>C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O</smiles> is (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-(3-carboxy-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.  It is also related to or classified as triterpenoid  . It is also related to or classified as hemisuccinate .


The molecule <smiles>C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO</smiles> <smiles>C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO</smiles> is N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]-2-propenamide. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>COC1=NC(C)=CN=C1NS(=O)(=O)C1=C(N=CC=C1)C1=CC=C(C=C1)C1=NN=CO1</smiles> <smiles>COC1=NC(C)=CN=C1NS(=O)(=O)C1=C(N=CC=C1)C1=CC=C(C=C1)C1=NN=CO1</smiles> is A member of the class of pyridinesulfonamides that is benzene substituted by 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]pyridin-2-yl and 1,3,4-oxadiazol-2-yl groups at positions 1 and 4, respectively. It is an endothelin A receptor antagonist with potential antineoplastic activity. It has the role of antineoplastic agent . It has the role of antihypertensive agent . It has the role of endothelin A receptor antagonist . It is also related to or classified as benzenes , aromatic ether , phenylpyridine , pyrazines , 1,3,4-oxadiazoles , pyridinesulfonamide .


The molecule <smiles>CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC</smiles> <smiles>CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC</smiles> is N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC=C(C=C3)O</smiles> <smiles>CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC=C(C=C3)O</smiles> is 4-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol. It is also related to or classified as aromatic amine , tertiary amino compound .


The molecule <smiles>CON=C(C1=CC=CO1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O</smiles> <smiles>CON=C(C1=CC=CO1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O</smiles> is LSM-5500.  It is also related to or classified as cephalosporin  . It is also related to or classified as carbamate ester .


The molecule <smiles>CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C</smiles> <smiles>CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C</smiles> is 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester. It is also related to or classified as retinyl ester  .


The molecule <smiles>C1=CC=C(C(=C1)N)S(=O)(=O)N</smiles> <smiles>C1=CC=C(C(=C1)N)S(=O)(=O)N</smiles> is 2-aminobenzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .


The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC(N)=N</smiles> <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC(N)=N</smiles> is A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine. It has the role of antiinfective agent . It is also related to or classified as sulfonamide antibiotic .


The molecule <smiles>CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O</smiles> <smiles>CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O</smiles> is (6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. It is also related to or classified as secondary carboxamide  . It is also related to or classified as dicarboxylic acid .


The molecule <smiles>C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O</smiles> <smiles>C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O</smiles> is 3-[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]</smiles> <smiles>[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]</smiles> is testolactone.  It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as seco-androstane .


The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1</smiles> <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1</smiles> is testosterone cypionate. Its functional parent is testosterone . Its functional parent is 3-cyclopentylpropionic acid . It is also related to or classified as sterol ester  .


The molecule <smiles>C1=CC=NC(=C1)CNC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2</smiles> <smiles>C1=CC=NC(=C1)CNC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2</smiles> is N-[1,1,1,3,3,3-hexafluoro-2-(2-pyridinylmethylamino)propan-2-yl]-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .


The molecule <smiles>CC[N+]1=CC=CC=C1Br</smiles> <smiles>CC[N+]1=CC=CC=C1Br</smiles> is 2-bromo-1-ethylpyridin-1-ium. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyridines .


The molecule <smiles>[H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(N)C(O)=O</smiles> <smiles>[H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(N)C(O)=O</smiles> is an organic heterobicyclic compound that is (1S,5R)-2-thiabicyclo[3.1.0]hexane carrying oxo, oxo, amino, carboxy, and carboxy groups at positions 2, 2, 4S, 4S, and 6S, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 mGluR3 (Ki = 149 nM and 92 nM, respectively) and exhibits antipsychotic and anxiolytic efficacy in animal models. It has the role of anxiolytic drug . It has the role of antipsychotic agent . It has the role of dopamine agonist . It has the role of metabotropic glutamate receptor agonist .   It is also related to or classified as sulfone  . It is also related to or classified as organic heterobicyclic compound , dicarboxylic acid , bridged compound , non-proteinogenic amino acid derivative .


The molecule <smiles>CN1C(=O)OC(C)(C)C1=O</smiles> <smiles>CN1C(=O)OC(C)(C)C1=O</smiles> is an oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent. It has the role of geroprotector . It has the role of anticonvulsant . It is also related to or classified as oxazolidinone .


The molecule <smiles>CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3</smiles> <smiles>CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3</smiles> is 6,7-dimethyl-2-phenylquinoxaline. It has the role of geroprotector . It is also related to or classified as quinoxaline derivative .


The molecule <smiles>C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC</smiles> <smiles>C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC</smiles> is LSM-5437. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43</smiles> <smiles>CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43</smiles> is 1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester. It is also related to or classified as indolyl carboxylic acid .


The molecule <smiles>CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(C#C)O</smiles> <smiles>CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(C#C)O</smiles> is (8S,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one. It has the role of estrogen . It is also related to or classified as steroid  .


The molecule <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC(C=2C=CC=CC2)=O</smiles> <smiles>NC1=CC=C(C=C1)S(=O)(=O)NC(C=2C=CC=CC2)=O</smiles> is A sulfonamide containing a benzamido substituent on nitrogen. An antibacterial/antimicrobial, it is often used in conjunction with sulfathiazole and sulfacetamide as a topical, intravaginal antibacterial preparation. It has the role of antimicrobial drug . It has the role of antibacterial drug .   It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes , sulfonamide antibiotic .


The molecule <smiles>[C@@]1(OC([C@]1(CCCCCC)[H])=O)(C[C@H](CCCCCCCCCCC)OC([C@@H](NC(=O)[H])CC(C)C)=O)[H]</smiles> <smiles>[C@@]1(OC([C@]1(CCCCCC)[H])=O)(C[C@H](CCCCCCCCCCC)OC([C@@H](NC(=O)[H])CC(C)C)=O)[H]</smiles> is A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. It has the role of EC 3.1.1.3 (triacylglycerol lipase) inhibitor . It has the role of EC 2.3.1.85 (fatty acid synthase) inhibitor . It has the role of anti-obesity agent . It has the role of bacterial metabolite .    It is also related to or classified as carboxylic ester  . It is also related to or classified as formamides , L-leucine derivative , beta-lactone .


The molecule <smiles>C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N</smiles> <smiles>C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N</smiles> is pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. It has the role of diuretic . It has the role of sodium channel blocker . It is also related to or classified as pteridines .


The molecule <smiles>C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O</smiles> <smiles>C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O</smiles> is (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .


The molecule <smiles>CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C</smiles> <smiles>CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C</smiles> is 2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. It is also related to or classified as penicillin  . It is also related to or classified as pivalate ester  .


The molecule <smiles>C[C@]12CC[C@H]3[C@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)O</smiles> <smiles>C[C@]12CC[C@H]3[C@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)O</smiles> is (8R,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. It has the role of estrogen . It is also related to or classified as steroid  .


The molecule <smiles>CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C</smiles> <smiles>CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C</smiles> is 2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. It is also related to or classified as pivaloyloxymethyl ester  .  It is also related to or classified as formamidines  . It is also related to or classified as penicillanic acid ester .


The molecule <smiles>C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)C)CC=C)O)C)C(=C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)O)C)OC)OC</smiles> <smiles>C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)C)CC=C)O)C)C(=C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)O)C)OC)OC</smiles> is LSM-5735. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCC</smiles> <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCC</smiles> is testosterone enanthate. It has the role of androgen . Its functional parent is testosterone . It is also related to or classified as sterol ester  . It is also related to or classified as heptanoate ester  .


The molecule <smiles>N1(C(N(C2=C(C1=O)N(C=N2)CC3OCCO3)C)=O)C</smiles> <smiles>N1(C(N(C2=C(C1=O)N(C=N2)CC3OCCO3)C)=O)C</smiles> is an oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma. It has the role of bronchodilator agent . It has the role of anti-asthmatic drug . It has the role of antitussive . Its functional parent is 7H-xanthine . It is also related to or classified as oxopurine .


The molecule <smiles>O=C(NO)CCCCCCSC=1C=CC=2C=CC=CC2C1</smiles> <smiles>O=C(NO)CCCCCCSC=1C=CC=2C=CC=CC2C1</smiles> is A member of the class of naphthalenes that is naphthalene substituted by a [7-(hydroxyamino)-7-oxoheptyl]sulfanediyl group at position 2. It is a  histone deacetylase inhibitor that exhibits antineoplastic activity. It has the role of antifibrotic agent . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as hydroxamic acid , naphthalenes , aryl sulfide .


The molecule <smiles>C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C</smiles> <smiles>C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C</smiles> is (1S,3aS,3bR,5aR,9aR,9bR,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC</smiles> <smiles>C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC</smiles> is carbamic acid [(3R,5S,6R,7S,10S,11S)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CN1C[C@@H](C[C@]2([C@@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br</smiles> <smiles>CN1C[C@@H](C[C@]2([C@@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br</smiles> is 5-bromo-3-pyridinecarboxylic acid [(6aS,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl ester. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .


The molecule <smiles>C[C@]12CC[C@H]3[C@H]([C@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O</smiles> <smiles>C[C@]12CC[C@H]3[C@H]([C@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O</smiles> is (8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol. It has the role of estrogen . It is also related to or classified as steroid  .


The molecule <smiles>C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O</smiles> <smiles>C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O</smiles> is LSM-5686. It is also related to or classified as cephalosporin  . It is also related to or classified as quaternary nitrogen compound .


The molecule <smiles>CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12</smiles> <smiles>CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12</smiles> is A member of the class of methylindoles that is 1H-indole substituted by methyl and [({1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl}methyl)amino]methyl groups at positions 1 and 3, respectively. It is an orally bioavailable pan-HDAC inhibitor that exhibits antineoplastic activity. It has the role of radiosensitizing agent . It has the role of autophagy inducer . It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of bone density conservation agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor .   It is also related to or classified as methylindole  . It is also related to or classified as hydroxamic acid , piperidines , pyrimidines , secondary amino compound .


The molecule <smiles>C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC</smiles> <smiles>C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC</smiles> is carbamic acid [(3R,5S,6R,7S,10S,11S)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O</smiles> <smiles>C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O</smiles> is (8R,9S,13S,14R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. It has the role of estrogen . It is also related to or classified as steroid  .


The molecule <smiles>OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1</smiles> <smiles>OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1</smiles> is A secondary carboxamide resulting from the formal condensation of the carboxy group of 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid with the amino group of (2S)-3-aminopropane-1,2-diol. It is a potent inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 with potential antineoplastic activity. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as primary alcohol  . It is also related to or classified as diol  .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as difluorobenzene  . It is also related to or classified as pyridinecarboxamide , aminopyridine , substituted aniline .


The molecule <smiles>CN1CCN2[C@@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4</smiles> <smiles>CN1CCN2[C@@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4</smiles> is LSM-5894. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .


The molecule <smiles>Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1</smiles> <smiles>Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1</smiles> is A salicylanilide derivative where the hydrogens at positions 2, 3, 4 and 5 are substituted by chlorine. It is also related to or classified as salicylanilides .


The molecule <smiles>C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N</smiles> <smiles>C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N</smiles> is 4-amino-N-(2-quinoxalinyl)benzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .


The molecule <smiles>ClC1=CC(NC(=O)C2=CN=CC=C2)=C2NC3=C(C=CN=C3)C2=C1</smiles> <smiles>ClC1=CC(NC(=O)C2=CN=CC=C2)=C2NC3=C(C=CN=C3)C2=C1</smiles> is A member of the class of beta-carbolines that is 9H-beta-carboline substituted by chloro and (pyridin-3-ylcarbonyl)amino groups at positions 6 and 8, respectively. It is a IkappaB kinase beta (IKKbeta) inhibitor (IC50 = 88 nM). It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of EC 2.7.11.10 (IkappaB kinase) inhibitor . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as pyridinecarboxamide , beta-carbolines .


The molecule <smiles>CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O</smiles> <smiles>CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O</smiles> is 2-acetyloxy-4-(trifluoromethyl)benzoic acid.   It is also related to or classified as carboxylic ester  . It is also related to or classified as benzoic acids , salicylates .


The molecule <smiles>CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O</smiles> <smiles>CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O</smiles> is (2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .


The molecule <smiles>C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O</smiles> <smiles>C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O</smiles> is 2-[(1S,2S,3R,4S,5S,6R)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>CON=C(C1=CC=CO1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O</smiles> <smiles>CON=C(C1=CC=CO1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O</smiles> is (6R,7R)-3-(carbamoyloxymethyl)-7-[[2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.  It is also related to or classified as cephalosporin  . It is also related to or classified as carbamate ester .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> is N-[(3R,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>COC1=CC=C(C=C1)C2=CC(=NC3=CC=C(C=C3)OC)C4=C(O2)C=CC(=C4)O</smiles> <smiles>COC1=CC=C(C=C1)C2=CC(=NC3=CC=C(C=C3)OC)C4=C(O2)C=CC(=C4)O</smiles> is 2-(4-methoxyphenyl)-4-(4-methoxyphenyl)imino-1-benzopyran-6-ol. It is also related to or classified as ether  . It is also related to or classified as flavonoids .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3</smiles> is 1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl</smiles> <smiles>C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl</smiles> is 4-amino-6-(1,2,2-trichloroethenyl)benzene-1,3-disulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .


The molecule <smiles>C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N.C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O</smiles> <smiles>C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N.C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O</smiles> is (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3R,6S)-3-amino-6-(aminomethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .


The molecule <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> <smiles>C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> is N-[(3R,9S,10R)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]</smiles> <smiles>CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]</smiles> is acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester. Its functional parent is salicylamide .  It is also related to or classified as carboxylic ester  . It is also related to or classified as benzamides .


The molecule <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> <smiles>C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4</smiles> is N-[(3S,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O</smiles> <smiles>CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O</smiles> is 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .