The molecule <smiles>COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)Cl)C(=O)CCl</smiles> <smiles>COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)Cl)C(=O)CCl</smiles> is 2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC12CCC(=O)C(=O)C1CCC3C2CCC4(C3CCC4=O)C</smiles> <smiles>CC12CCC(=O)C(=O)C1CCC3C2CCC4(C3CCC4=O)C</smiles> is 10,13-dimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,4,17-trione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O</smiles> <smiles>C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O</smiles> is (13S,17S)-13-methyl-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>C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@]2(CC=C)O</smiles> <smiles>C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@]2(CC=C)O</smiles> is (13S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-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>C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O</smiles> <smiles>C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O</smiles> is 5-hydroxy-3-(4-hydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .


The molecule <smiles>CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O</smiles> <smiles>CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O</smiles> is 2-hydroxybenzoic acid (3,3,5-trimethylcyclohexyl) ester. Its functional parent is salicylic acid . 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(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)CCl</smiles> <smiles>COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)CCl</smiles> is 2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CN1C(C(=O)C2=C(S1(=O)=O)C=CS2)C(=O)NC3=CC=CC=N3</smiles> <smiles>CN1C(C(=O)C2=C(S1(=O)=O)C=CS2)C(=O)NC3=CC=CC=N3</smiles> is 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-thieno[2,3-e]thiazine-3-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O</smiles> <smiles>C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O</smiles> is (13S)-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>CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32</smiles> <smiles>CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32</smiles> is 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-4-imidazolidinone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC1CC(CN(C1)C(=O)C[C@@H](C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C</smiles> <smiles>CC1CC(CN(C1)C(=O)C[C@@H](C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C</smiles> is (3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5</smiles> <smiles>CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5</smiles> is N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .


The molecule <smiles>CC1CCCN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O</smiles> <smiles>CC1CCCN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O</smiles> is 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H]1O</smiles> <smiles>CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H]1O</smiles> is sisomycin.   It is also related to or classified as beta-L-arabinoside  . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic , monosaccharide derivative .


The molecule <smiles>COC1=CC=CC(=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl</smiles> <smiles>COC1=CC=CC(=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl</smiles> is 2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1CC[C@]2(C#C)O</smiles> <smiles>C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1CC[C@]2(C#C)O</smiles> is (10R,13S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one. It has the role of estrogen . It is also related to or classified as steroid  .


The molecule <smiles>C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC=C(C=C3)F)C(=O)CCl</smiles> <smiles>C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC=C(C=C3)F)C(=O)CCl</smiles> is 2-(N-(2-chloro-1-oxoethyl)-4-fluoroanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(=O)O[C@H]1CCN2C[C@@H](N)CCC12</smiles> <smiles>CC(=O)O[C@H]1CCN2C[C@@H](N)CCC12</smiles> is an indolizidine alkaloid that is octahydroindolizine substituted by an amino group at position 6 and an acetyloxy group at position 1. It has the role of metabolite . It has the role of mycotoxin .  It is also related to or classified as acetate ester  . It is also related to or classified as indolizidine alkaloid .


The molecule <smiles>Cc1c[nH]c2ccccc12</smiles> <smiles>Cc1c[nH]c2ccccc12</smiles> is A methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract. It has the role of mammalian metabolite . It has the role of human metabolite . It is also related to or classified as methylindole  .


The molecule <smiles>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O</smiles> <smiles>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O</smiles> is 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CC(C)(C)CCN1C[C@@H]2[C@H](C1)C2CNC(=O)C3=CC(=CC(=C3)Cl)Cl</smiles> <smiles>CC(C)(C)CCN1C[C@@H]2[C@H](C1)C2CNC(=O)C3=CC(=CC(=C3)Cl)Cl</smiles> is 3,5-dichloro-N-[[(1S,5R)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>COc1ccc2c(OC)c3ccoc3nc2c1OC</smiles> <smiles>COc1ccc2c(OC)c3ccoc3nc2c1OC</smiles> is Skimmianine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle , alkaloid antibiotic .


The molecule <smiles>COC1=CC=CC=C1C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6</smiles> <smiles>COC1=CC=CC=C1C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6</smiles> is LSM-1547. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1</smiles> <smiles>COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1</smiles> is A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively. It has the role of plant metabolite . Its functional parent is flavone . It is also related to or classified as pentamethoxyflavone .


The molecule <smiles>COC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl</smiles> <smiles>COC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl</smiles> is 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(CC(=O)CO)C(=O)SCF)C)O)F)C)F</smiles> <smiles>CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(CC(=O)CO)C(=O)SCF)C)O)F)C)F</smiles> is 6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC</smiles> <smiles>CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC</smiles> is 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole. It is also related to or classified as sulfoxide  . It is also related to or classified as benzimidazoles .


The molecule <smiles>C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)NC(=O)C6=CC=CC=C6</smiles> <smiles>C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)NC(=O)C6=CC=CC=C6</smiles> is LSM-1675. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O</smiles> <smiles>CC1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O</smiles> is 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methyl-1-piperidinyl)-1-propanone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O</smiles> <smiles>CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O</smiles> is 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .


The molecule <smiles>COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC</smiles> <smiles>COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC</smiles> is 7-methoxy-2-(4-methoxyphenyl)-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>[Na+].[Na+].[H]O[H].[H]O[H].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N</smiles> <smiles>[Na+].[Na+].[H]O[H].[H]O[H].O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N</smiles> is A hydrate that is the dihydrate form of sodium nitroprusside. It has the role of vasodilator agent . It has the role of nitric oxide donor . It is also related to or classified as hydrate .


The molecule <smiles>CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F</smiles> <smiles>CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F</smiles> is 2-[[2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-phenylacetic acid tert-butyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as peptide  .


The molecule <smiles>COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl</smiles> <smiles>COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl</smiles> is 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)COC</smiles> <smiles>CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)COC</smiles> is N-tert-butyl-2-(4-tert-butyl-N-(2-methoxy-1-oxoethyl)anilino)-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC</smiles> <smiles>COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC</smiles> is phosphoric acid [(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl ester. It is also related to or classified as trialkyl phosphate .


The molecule <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1</smiles> <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1</smiles> is Solamargine. It is also related to or classified as steroid  . It is also related to or classified as azaspiro compound , oxaspiro compound .


The molecule <smiles>C1=CC=C(C=C1)CN2C=CC3=C(C2=N)C(C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6</smiles> <smiles>C1=CC=C(C=C1)CN2C=CC3=C(C2=N)C(C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6</smiles> is LSM-1786. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3</smiles> <smiles>CCC(C)(C(=O)NC1CCCC1)N(CC2=CC=CS2)C(=O)C3=CC=CC=N3</smiles> is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide. 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)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3</smiles> <smiles>C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3</smiles> is 3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .


The molecule <smiles>C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC(=CC=C3)Cl)C(=O)CCl</smiles> <smiles>C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(C3=CC(=CC=C3)Cl)C(=O)CCl</smiles> is 2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC1CN(CC(O1)C)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O</smiles> <smiles>CC1CN(CC(O1)C)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O</smiles> is 3-(1,3-benzodioxol-5-yl)-1-(2,6-dimethyl-4-morpholinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol]. It has the role of antineoplastic agent . It has the role of phytotoxin . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is solanidine . It is also related to or classified as glycoalkaloid , organic heterohexacyclic compound , steroid saponin , trisaccharide derivative .


The molecule <smiles>CCOC(=O)CCC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5</smiles> <smiles>CCOC(=O)CCC(=O)NC1=C2C(C3=C(C=CC4=CC=CC=C43)OC2=NC=N1)C5=CC=CC=C5</smiles> is LSM-1834. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC1=C(C=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl)C</smiles> <smiles>CC1=C(C=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl)C</smiles> is 2-(N-(2-chloro-1-oxoethyl)-3,4-dimethylanilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br</smiles> <smiles>CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br</smiles> is 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid.  It is also related to or classified as organobromine compound  . It is also related to or classified as biphenyls .


The molecule <smiles>[Na+].[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1</smiles> <smiles>[Na+].[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1</smiles> is the sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry. It has the role of ionophore . It has the role of coccidiostat . It is also related to or classified as benzoates , organic sodium salt .


The molecule <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1</smiles> <smiles>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CN1</smiles> is Solasonine. It is also related to or classified as steroid  . It is also related to or classified as azaspiro compound , oxaspiro compound .


The molecule <smiles>CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C=NC4=CC=CC=C34</smiles> <smiles>CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C=NC4=CC=CC=C34</smiles> is 3H-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>C1CC(CCC1C2C(=O)C3=CC=CC=C3C(=O)C2=O)C4=CC=C(C=C4)Cl</smiles> <smiles>C1CC(CCC1C2C(=O)C3=CC=CC=C3C(=O)C2=O)C4=CC=C(C=C4)Cl</smiles> is 3-[4-(4-chlorophenyl)cyclohexyl]naphthalene-1,2,4-trione. It is also related to or classified as ring assembly , cyclic ketone , monochlorobenzenes .


The molecule <smiles>CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H](C2C[C@H](C[C@@H](C2=O)C)C)O</smiles> <smiles>CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H](C2C[C@H](C[C@@H](C2=O)C)C)O</smiles> is 2-[4-[(2R)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxo-1-piperidinyl]acetic acid ethyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=N3</smiles> <smiles>CCC(C)(C(=O)NC1CCCCC1)N(CC2=CC=CO2)C(=O)C3=CC=CC=N3</smiles> is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-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>C[C@]12CCC3C(C1CC[C@@H]2C(=O)NC(C)(C)C)CCC4[C@@]3(C=CC(=O)N4)C</smiles> <smiles>C[C@]12CCC3C(C1CC[C@@H]2C(=O)NC(C)(C)C)CCC4[C@@]3(C=CC(=O)N4)C</smiles> is (1S,9aR,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>C1=CC=C(C=C1)CC(=O)NC2=C3C(C4=C(C=CC5=CC=CC=C54)OC3=NC=N2)C6=CC=CC=C6</smiles> <smiles>C1=CC=C(C=C1)CC(=O)NC2=C3C(C4=C(C=CC5=CC=CC=C54)OC3=NC=N2)C6=CC=CC=C6</smiles> is LSM-1873. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C</smiles> <smiles>CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C</smiles> is 17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)Br)NC3=O</smiles> <smiles>C1=CC=C2C(=C1)NNC3(O2)C4=C(C=CC(=C4)Br)NC3=O</smiles> is 5'-bromo-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>COC1=CC=CC(=C1OC)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6</smiles> <smiles>COC1=CC=CC(=C1OC)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6</smiles> is LSM-1875. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC1(C)CCc2c(O1)ccc1c2oc2c1c(=O)oc1cc(O)ccc21</smiles> <smiles>CC1(C)CCc2c(O1)ccc1c2oc2c1c(=O)oc1cc(O)ccc21</smiles> is A member of the class of  coumestans that is  coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10. It has the role of plant metabolite . Its functional parent is coumestan . It is also related to or classified as delta-lactone  . It is also related to or classified as phenols  . It is also related to or classified as coumestans  .


The molecule <smiles>CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43</smiles> <smiles>CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43</smiles> is 1H-indole-3-carboxylic acid (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>CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OC</smiles> <smiles>CCOC(=O)C1=C2C3CCCN3C(=O)C4=C(N2C=N1)C=CC(=C4)OC</smiles> is LSM-1859. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound .


The molecule <smiles>CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C</smiles> <smiles>CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C</smiles> is N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide. It is also related to or classified as homoallylic alcohol  .  It is also related to or classified as organic disulfide  . It is also related to or classified as formamides , aminopyrimidine .


The molecule <smiles>CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1</smiles> <smiles>CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1</smiles> is A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 4' and prenyl groups at positions 3' and 5' respectively. It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as dihydroxyflavanone .


The molecule <smiles>C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)N</smiles> <smiles>C1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=NC=NC(=C25)N</smiles> is LSM-1925. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O</smiles> <smiles>Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O</smiles> is A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene. It is also related to or classified as dinitrotoluene .


The molecule <smiles>C[C@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[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)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O</smiles> is (2S,4aS,6aS,6bR,10S,12aS,14bR)-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>COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCN6CCOCC6)OC</smiles> <smiles>COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCN6CCOCC6)OC</smiles> is LSM-1924. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CN1[C@H]2CC3CC1C(C2O3)O</smiles> <smiles>CN1[C@H]2CC3CC1C(C2O3)O</smiles> is LSM-1903.  It is also related to or classified as gitoxigenin  . It is also related to or classified as organonitrogen heterocyclic compound .


The molecule <smiles>COC1=CC=CC(=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6</smiles> <smiles>COC1=CC=CC(=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)C6=CC=CC=C6</smiles> is LSM-1891. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=CC=CC=C54</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=CC=CC=C54</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-(1-naphthalenyl)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>CC1=CC=CC=C1NCC(=O)NNC=C2C=CC=N2</smiles> <smiles>CC1=CC=CC=C1NCC(=O)NNC=C2C=CC=N2</smiles> is 2-(2-methylanilino)-N'-(2-pyrrolylidenemethyl)acetohydrazide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O</smiles> <smiles>CCC=CCC=CCC=CCCCCCCCCCCCC(=O)O</smiles> is docosa-13,16,19-trienoic acid. It is also related to or classified as very long-chain fatty acid  .


The molecule <smiles>COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCOC5=CC=CC=C54</smiles> <smiles>COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4CCOC5=CC=CC=C54</smiles> is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine. It is also related to or classified as aromatic amine , tertiary amino compound .


The molecule <smiles>CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F</smiles> <smiles>CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F</smiles> is 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>CNC(=S)NN=CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC</smiles> <smiles>CNC(=S)NN=CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC</smiles> is 1-(4-chlorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester. It is also related to or classified as pyrazoles , ring assembly .


The molecule <smiles>CC(=NOC(=O)C1=CC=C(C=C1)Cl)C2=NC=CS2</smiles> <smiles>CC(=NOC(=O)C1=CC=C(C=C1)Cl)C2=NC=CS2</smiles> is 4-chlorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CCCC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C</smiles> <smiles>CCCC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C</smiles> is 3-(17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .


The molecule <smiles>C1=CC(=O)OC2=CC(=C(C=C21)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> <smiles>C1=CC(=O)OC2=CC(=C(C=C21)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> is 7-hydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .


The molecule <smiles>Cl.CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1</smiles> <smiles>Cl.CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1</smiles> is A hydrochloride salt that is the monohydrochloride of sotalol. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias. It has the role of beta-adrenergic antagonist . It has the role of anti-arrhythmia drug . It is also related to or classified as hydrochloride .


The molecule <smiles>CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C</smiles> <smiles>CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C</smiles> is 3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-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>C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=N4</smiles> <smiles>C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC=N4</smiles> is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine.  It is also related to or classified as sulfonamide  . It is also related to or classified as pyridines .


The molecule <smiles>CC(=O)C1=CC=CC(=C1)C2=CSC3=C2C(=NC=N3)SC4=NN=NN4C</smiles> <smiles>CC(=O)C1=CC=CC(=C1)C2=CSC3=C2C(=NC=N3)SC4=NN=NN4C</smiles> is 1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aromatic ketone .


The molecule <smiles>C1COC2=CC=CC=C2N1C3=NC=CC(=N3)NCC4=CC=CC=C4</smiles> <smiles>C1COC2=CC=CC=C2N1C3=NC=CC(=N3)NCC4=CC=CC=C4</smiles> is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(phenylmethyl)-4-pyrimidinamine. It is also related to or classified as aromatic amine , tertiary amino compound .


The molecule <smiles>CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O</smiles> <smiles>CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O</smiles> is 4-(1-oxoeicosa-5,8,11,14-tetraenylamino)butanoic acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC1=NC2=C(S1)C(=O)C=C(NC1=CC=C(C)C=C1)C2=O</smiles> <smiles>CC1=NC2=C(S1)C(=O)C=C(NC1=CC=C(C)C=C1)C2=O</smiles> is A member of the class of benzothiazoles that is 1,3-benzothiazole-4,7-dione substituted by methyl and (4-methylphenyl)amino groups at positions 2 and 5, respectively. It is an inhibitor of CDK4 and SETD8 and exhibits cytotoxicity towards a number of human cancer cell lines. It has the role of antineoplastic agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as aminotoluene , p-quinones , benzothiazoles , secondary amino compound .


The molecule <smiles>ClC1=C(NCCN2CCOCC2)C(=O)C2=C(C=CC=N2)C1=O</smiles> <smiles>ClC1=C(NCCN2CCOCC2)C(=O)C2=C(C=CC=N2)C1=O</smiles> is A quinolone that is quinoline-5,8-dione substituted by chloro and [2-(morpholin-4-yl)ethyl]amino groups at positions 6 and 7, respectively. It is a potent and irreversible inhibitor of Cdc25 isoforms. It has the role of EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor . It has the role of antineoplastic agent .   It is also related to or classified as organochlorine compound  . It is also related to or classified as aminoquinoline  . It is also related to or classified as quinolone , p-quinones , morpholines .


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)C(=O)OCCOC</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)C(=O)OCCOC</smiles> is N-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-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-9-yl]methyl]-N-methylcarbamic acid 2-methoxyethyl ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)Br</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)Br</smiles> is 5-bromo-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>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C=NC3=CC=CC=C32</smiles> <smiles>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C=NC3=CC=CC=C32</smiles> is 1-(1-benzimidazolyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)NC(=O)C</smiles> <smiles>CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)NC(=O)C</smiles> is N-[1-(4-acetamidophenyl)ethylideneamino]cyclopentanecarboxamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .


The molecule <smiles>CC1=C(C(=C(C=C1)Cl)CN2C(=O)C3=C(C=N2)C4=C(N3C)C=C(S4)C)F</smiles> <smiles>CC1=C(C(=C(C=C1)Cl)CN2C(=O)C3=C(C=N2)C4=C(N3C)C=C(S4)C)F</smiles> is 6-[(6-chloro-2-fluoro-3-methylphenyl)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>C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3</smiles> <smiles>C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3</smiles> is 2-(4-morpholinyl)-4-benzo[h][1]benzopyranone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CC1(C=CC2=C(O1)C(=C(C=C2)OC)C(=O)C=CC3=CC=CC=C3)C</smiles> <smiles>CC1(C=CC2=C(O1)C(=C(C=C2)OC)C(=O)C=CC3=CC=CC=C3)C</smiles> is LSM-2148. It has the role of precocenes . It is also related to or classified as chromenes .


The molecule <smiles>CC(C)(C)NC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC</smiles> <smiles>CC(C)(C)NC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC</smiles> is 5-[[[(tert-butylamino)-sulfanylidenemethyl]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>C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[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=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F</smiles> is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>C1CN(CCC1(CC2=CC=CC=C2)O)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1(CC2=CC=CC=C2)O)C3=C4C=CSC4=NC=N3</smiles> is 4-(phenylmethyl)-1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinol. It is also related to or classified as thienopyrimidine  . It is also related to or classified as piperidines .


The molecule <smiles>CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCNC(=O)C4=C(C=C(C=C4)F)F</smiles> <smiles>CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCNC(=O)C4=C(C=C(C=C4)F)F</smiles> is 2,4-difluoro-N-[2-[1-[2-(4-methylphenoxy)ethyl]-2-benzimidazolyl]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>CC(=NOC(=O)C1=CC=C(C=C1)F)C2=NC=CS2</smiles> <smiles>CC(=NOC(=O)C1=CC=C(C=C1)F)C2=NC=CS2</smiles> is 4-fluorobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>O.O.O.O.O.Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O</smiles> <smiles>O.O.O.O.O.Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O</smiles> is A hydrate that is the pentahydrate form of spectinomycin hydrochloride. An antibiotic that is active against gram-negative bacteria and used to treat gonorrhea. It has the role of antimicrobial agent . It has the role of antibacterial drug . It is also related to or classified as hydrate , hydrochloride .


The molecule <smiles>C1(=CC=CC=C1C(F)(F)F)C(C#N)=C(N)SC2=CC=C(C=C2)N</smiles> <smiles>C1(=CC=CC=C1C(F)(F)F)C(C#N)=C(N)SC2=CC=C(C=C2)N</smiles> is A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. It has the role of neuroprotective agent . It has the role of EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor . It is also related to or classified as organic sulfide  . It is also related to or classified as nitrile  . It is also related to or classified as enamine  . It is also related to or classified as substituted aniline , primary amino compound , (trifluoromethyl)benzenes .


The molecule <smiles>C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1</smiles> <smiles>C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1</smiles> is sparfloxacin. It is also related to or classified as quinolone , quinolinemonocarboxylic acid , N-arylpiperazine , quinolone antibiotic , fluoroquinolone antibiotic .


The molecule <smiles>COC1=CC2=C(C=C1)N(C(=O)C1=C(Cl)C(Cl)=CC=C1)C(C)=C2CCN1CCOCC1</smiles> <smiles>COC1=CC2=C(C=C1)N(C(=O)C1=C(Cl)C(Cl)=CC=C1)C(C)=C2CCN1CCOCC1</smiles> is A methylindole that is 2-methyl-1H-indole substituted by 2,3-dichlorobenzoyl, 2-(morpholin-4-yl)ethyl, and methoxy groups at positions 1, 3 and 5, respectively. It is a partial agonist of the cannabinoid CB2 receptor (EC50 = 0.65 nM). It has the role of CB2 receptor agonist . It has the role of analgesic . It has the role of anti-inflammatory agent .  It is also related to or classified as dichlorobenzene  .  It is also related to or classified as methylindole  . It is also related to or classified as benzamides , aromatic ether , morpholines , N-acylindole .


The molecule <smiles>CC(C)C1=NC(=NC(=N1)C2=CC=CC=C2)SC</smiles> <smiles>CC(C)C1=NC(=NC(=N1)C2=CC=CC=C2)SC</smiles> is 2-(methylthio)-4-phenyl-6-propan-2-yl-1,3,5-triazine.  It is also related to or classified as organic sulfide  . It is also related to or classified as methylthio-1,3,5-triazine .


The molecule <smiles>CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C</smiles> <smiles>CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C</smiles> is 10-(3-aminopropyl)-3,4-dimethyl-9-acridinone. Its functional parent is acridone . It is also related to or classified as acridines .


The molecule <smiles>C1CN(CCC1CC2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1CC2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> is 4-[4-(phenylmethyl)-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>NC1=CC=C(CCN2CCN(CC2)C2=CC=CC(=C2)C(F)(F)F)C=C1</smiles> <smiles>NC1=CC=C(CCN2CCN(CC2)C2=CC=CC(=C2)C(F)(F)F)C=C1</smiles> is A N-arylpiperazine that is piperazine substituted by 2-(4-aminophenyl)ethyl and 3-(trifluoromethyl)phenyl groups at positions 1 and 4, respectively. It is a selective 5-HT1A serotonin receptor agonist and 5-HT1D serotonin receptor antagonist. It has the role of geroprotector . It has the role of serotonergic agonist . Its functional parent is 1-(3-(trifluoromethyl)phenyl)piperazine .    It is also related to or classified as primary arylamine  . It is also related to or classified as N-alkylpiperazine , N-arylpiperazine , substituted aniline , (trifluoromethyl)benzenes .


The molecule <smiles>C1=CC=C(C=C1)COC(=O)NNC(=O)C2=NC3=CC=CC=C3N2</smiles> <smiles>C1=CC=C(C=C1)COC(=O)NNC(=O)C2=NC3=CC=CC=C3N2</smiles> is N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .


The molecule <smiles>CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO</smiles> <smiles>CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO</smiles> is A 1-benzofuran substituted by {2-[4-(hydroxycarbamoyl)phenoxy]ethyl}aminocarbonyl and (dimethylamino)methyl groups at positions 2 and 3, respectively. It is a potent pan-HDAC inhibitor whose major target is HDAC1 (Ki = 7 nM). 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 EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as secondary carboxamide  . It is also related to or classified as hydroxamic acid , aromatic ether , 1-benzofurans , tertiary amino compound .


The molecule <smiles>CC(=NOC(=O)C1=CC=C(C=C1)I)C2=NC=CS2</smiles> <smiles>CC(=NOC(=O)C1=CC=C(C=C1)I)C2=NC=CS2</smiles> is 4-iodobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>C1CC(C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC4=CC=CC=C43</smiles> <smiles>C1CC(C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC4=CC=CC=C43</smiles> is cyclobutanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester. It is also related to or classified as cyclobutanes , naphthalenes .


The molecule <smiles>CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)O)OC)OC)OC</smiles> <smiles>CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)O)OC)OC)OC</smiles> is (7S)-7-acetamido-1,2,3-trimethoxy-6,7-dihydro-5H-dibenzo[5,3-b:1',2'-e][7]annulene-9-carboxylic acid.  It is also related to or classified as alkaloid  . It is also related to or classified as acetamides , carbotricyclic compound .


The molecule <smiles>CCCC1=CC(=NO1)C(=O)N(C2CCCCC2)C3CCCCC3</smiles> <smiles>CCCC1=CC(=NO1)C(=O)N(C2CCCCC2)C3CCCCC3</smiles> is N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .


The molecule <smiles>CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2</smiles> <smiles>CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2</smiles> is N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .


The molecule <smiles>CCOC(=O)NC1=NC2=CC=CC=C2N1</smiles> <smiles>CCOC(=O)NC1=NC2=CC=CC=C2N1</smiles> is N-(1H-benzimidazol-2-yl)carbamic acid ethyl ester. It is also related to or classified as benzimidazoles , carbamate ester .


The molecule <smiles>CC(=O)OCCNC(=O)C1=CN=CC=C1</smiles> <smiles>CC(=O)OCCNC(=O)C1=CN=CC=C1</smiles> is acetic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .


The molecule <smiles>Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O</smiles> <smiles>Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O</smiles> is A hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea. It has the role of antimicrobial agent . It has the role of antibacterial drug . It is also related to or classified as hydrochloride .


The molecule <smiles>COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> <smiles>COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O</smiles> is (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-methoxyphenyl)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>CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-]</smiles> <smiles>CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-]</smiles> is 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine.  It is also related to or classified as dibenzoazepine  . It is also related to or classified as C-nitro compound , tertiary amino compound .


The molecule <smiles>CC(=O)O[C@H]1CO[C@@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@H](OC(C)=O)[C@H]1O</smiles> <smiles>CC(=O)O[C@H]1CO[C@@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@H](OC(C)=O)[C@H]1O</smiles> is Spinoside A.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .


The molecule <smiles>CN1C2=C(CCNCC2)C3=CC=CC=C31</smiles> <smiles>CN1C2=C(CCNCC2)C3=CC=CC=C31</smiles> is 6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .


The molecule <smiles>Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1</smiles> <smiles>Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1</smiles> is an azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively. It has the role of psychotropic drug . It has the role of antipsychotic agent . It has the role of alpha-adrenergic antagonist . It has the role of serotonergic antagonist . It has the role of dopaminergic antagonist .   It is also related to or classified as organofluorine compound  . It is also related to or classified as piperidines , azaspiro compound , tertiary amino compound , aromatic ketone .


The molecule <smiles>COC1=CC=CC(=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC</smiles> <smiles>COC1=CC=CC(=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC</smiles> is 2-[3-(3-methoxyphenyl)-1-indazolyl]acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4OC</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4OC</smiles> is 5-(2-methoxyphenyl)-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>[H][C@@]12C[C@@H](C)C[C@@H]3N(C)C[C@@H](C[C@]13[H])[C@]1(C2)N[C@H](CCC1=O)C[C@@]1([H])C[C@H](C)C[C@]2([H])N(CCC[C@]12[H])C(C)=O</smiles> <smiles>[H][C@@]12C[C@@H](C)C[C@@H]3N(C)C[C@@H](C[C@]13[H])[C@]1(C2)N[C@H](CCC1=O)C[C@@]1([H])C[C@H](C)C[C@]2([H])N(CCC[C@]12[H])C(C)=O</smiles> is spirolucidine. It is also related to or classified as piperidines , azaspiro compound , decahydroquinoline alkaloid .


The molecule <smiles>O=C(N1CCC(CC1)N1CCCC1)C1=CC=C(NC2=NC=CC(=N2)C2=CC3=CC=CC=C3S2)C=C1</smiles> <smiles>O=C(N1CCC(CC1)N1CCCC1)C1=CC=C(NC2=NC=CC(=N2)C2=CC3=CC=CC=C3S2)C=C1</smiles> is A 1-benzothiophene substituted by a 2-{4-[4-(pyrrolidin-1-yl)piperidine-1-carbonyl]anilino}pyrimidin-4-yl group at position 2. It is an IkappaB kinase (IKK) inhibitor. It has the role of antimalarial . It has the role of NF-kappaB inhibitor . It has the role of EC 2.7.11.10 (IkappaB kinase) inhibitor . It is also related to or classified as benzamides , pyrrolidines , aminopyrimidine , 1-benzothiophenes , N-acylpiperidine , secondary amino compound .


The molecule <smiles>COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC</smiles> <smiles>COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC</smiles> is 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid. Its functional parent is anthranilic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides , amidobenzoic acid .


The molecule <smiles>CCN(C1=CC=CC=C1)C2=CC(=[N+](C(=N2)C)C)NC</smiles> <smiles>CCN(C1=CC=CC=C1)C2=CC(=[N+](C(=N2)C)C)NC</smiles> is N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine. It is also related to or classified as aromatic amine , tertiary amino compound .


The molecule <smiles>C1=CC(=CC(=C1)F)C=NN=CC2=CC(=CC=C2)F</smiles> <smiles>C1=CC(=CC(=C1)F)C=NN=CC2=CC(=CC=C2)F</smiles> is bis(3-fluorobenzylidene)hydrazine. It is also related to or classified as azine  . It is also related to or classified as monofluorobenzenes  .


The molecule <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CSC=C2</smiles> <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CSC=C2</smiles> is (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-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>C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3Cl</smiles> <smiles>C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3Cl</smiles> is N'-[(2-chlorophenyl)-oxomethyl]-2-(4-morpholinyl)-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>N1C(C(C2=C1C=CC=C2)=CC=3C=CC(=CC3)N(C)C)=O</smiles> <smiles>N1C(C(C2=C1C=CC=C2)=CC=3C=CC(=CC3)N(C)C)=O</smiles> is A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group.  SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity. It has the role of geroprotector . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of neuroprotective agent . It has the role of vascular endothelial growth factor receptor antagonist . It is also related to or classified as oxindoles , substituted aniline , tertiary amino compound .


The molecule <smiles>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O</smiles> <smiles>COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O</smiles> is 1-[1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-2,3-dihydropyridin-6-one. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .


The molecule <smiles>COC(=O)NN=CC1=CC=C(O1)[N+](=O)[O-]</smiles> <smiles>COC(=O)NN=CC1=CC=C(O1)[N+](=O)[O-]</smiles> is N-[(5-nitro-2-furanyl)methylideneamino]carbamic acid methyl ester. It is also related to or classified as furans , C-nitro compound .


The molecule <smiles>CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl</smiles> <smiles>CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl</smiles> is 3,4-dichloro-N-methyl-N-[(1R,2S)-2-(1-pyrrolidinyl)cyclohexyl]benzamide. 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)N1CCC(CC1)NCCNC(=O)C2=CC(=CC=C2)F</smiles> <smiles>CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC(=CC=C2)F</smiles> is 4-[2-[[(3-fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester. 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@]12N(C)C3=C(C=C(Cl)C(OC)=C3OC)[C@@]1(O)[C@@H](O)[C@@]13SS[C@@](C)(N(C)C1=O)C(=O)N23</smiles> <smiles>[H][C@]12N(C)C3=C(C=C(Cl)C(OC)=C3OC)[C@@]1(O)[C@@H](O)[C@@]13SS[C@@](C)(N(C)C1=O)C(=O)N23</smiles> is an organic heteropentacyclic compound that has formula C18H20ClN3O6S2, produced by the saprophyte fungus Pithomyces chartarum. It is a mycotoxin responsible for the hepatogenous photosensitisation disease facial eczema in ruminants. It has the role of Wnt signalling activator . It has the role of mycotoxin . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organic disulfide  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as organochlorine compound  .   It is also related to or classified as diketone  . It is also related to or classified as aromatic ether , organic heteropentacyclic compound , cyclic ketone , tertiary amino compound .


The molecule <smiles>C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32</smiles> <smiles>C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32</smiles> is 1H-indole-3-carboxylic acid 2-(1-piperidinyl)ethyl ester. It is also related to or classified as indolyl carboxylic acid .


The molecule <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH]ncc5C[C@]4(C)[C@H]3CC[C@]12C</smiles> is an organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes. It has the role of anabolic agent . It has the role of androgen . Its functional parent is oxymetholone . It is also related to or classified as tertiary alcohol  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as organic heteropentacyclic compound , anabolic androgenic steroid .


The molecule <smiles>CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl</smiles> <smiles>CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl</smiles> is LSM-2613. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O</smiles> <smiles>C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O</smiles> is 5-hydroxy-2-(4-methoxyphenyl)-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC5=CC=CC=C5O4</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC5=CC=CC=C5O4</smiles> is 5-(2-benzofuranyl)-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>CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=C(C=C2)F</smiles> <smiles>CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=C(C=C2)F</smiles> is 4-[2-[[(4-fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=CC=CC=N4</smiles> <smiles>C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=CC=CC=N4</smiles> is N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>COC(=O)CN1C2=C(C=CC=C2C(F)(F)F)C(=N1)C3=CC=CC=C3</smiles> <smiles>COC(=O)CN1C2=C(C=CC=C2C(F)(F)F)C(=N1)C3=CC=CC=C3</smiles> is 2-[3-phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NC=C2)Cl</smiles> <smiles>C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NC=C2)Cl</smiles> is 2-chloro-5-nitro-N-pyridin-4-ylbenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)Cl</smiles> <smiles>C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)Cl</smiles> is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=C(C=C2)OC</smiles> <smiles>CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=C(C=C2)OC</smiles> is (3S)-3-(4-methoxyphenyl)-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>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=C(C=CC(=C4)F)F</smiles> <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=C(C=CC(=C4)F)F</smiles> is 6-[(2,5-difluorophenyl)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>CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C)C=CS3)OCC</smiles> <smiles>CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C)C=CS3)OCC</smiles> is N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]-5-thieno[3,2-b]pyrrolecarboxamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C(F)(F)F</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C(F)(F)F</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-[4-(trifluoromethyl)phenyl]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>COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(C)=O)c3cc4OCOc4cc3-c2c(OC)c1OC</smiles> <smiles>COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](OC(C)=O)c3cc4OCOc4cc3-c2c(OC)c1OC</smiles> is Steganacin. It is also related to or classified as lactone  . It is also related to or classified as lignan  .


The molecule <smiles>CCCCCCCCC1=C(CCCCCCCC(O)=O)C1</smiles> <smiles>CCCCCCCCC1=C(CCCCCCCC(O)=O)C1</smiles> is A long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group. Its functional parent is octadec-9-enoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as cyclopropenyl fatty acid , monounsaturated fatty acid .


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-[(S)-[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>C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1C(=O)C2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3</smiles> is (4-fluorophenyl)-[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>CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC</smiles> <smiles>CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC</smiles> is N-[(4-hydroxy-3-methoxyphenyl)methyl]eicosa-5,8,11,14-tetraenamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5</smiles> <smiles>COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5</smiles> is 2-[8-(2-naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>[Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>[Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O</smiles> is magnesium distearate. It is also related to or classified as organic magnesium salt , magnesium salt .


The molecule <smiles>O=C1C=CC(=O)C2=C1C1C3=C(C=CC=C3)C2C2=C1C=CC=C2</smiles> <smiles>O=C1C=CC(=O)C2=C1C1C3=C(C=CC=C3)C2C2=C1C=CC=C2</smiles> is A quinone that is 9,10-dihydroanthracene-1,4-dione that is a linked to a benzene ring via 9 and 10 positions. It is an inhibitor of the interaction between calcineurin and its substrate nuclear factor of activated T cells (NFAT). It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor . It is also related to or classified as quinone  . It is also related to or classified as organic heteropentacyclic compound .


The molecule <smiles>CC(=O)NC1=CC=C(C=C1)C=CC2=NC(=C3C=CC=CC3=O)ON2</smiles> <smiles>CC(=O)NC1=CC=C(C=C1)C=CC2=NC(=C3C=CC=CC3=O)ON2</smiles> is N-[4-[2-[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .


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


The molecule <smiles>BrC1=CC2=C(NC3=C2CC(=O)NC2=CC=CC=C32)C=C1</smiles> <smiles>BrC1=CC2=C(NC3=C2CC(=O)NC2=CC=CC=C32)C=C1</smiles> is an indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). It has the role of geroprotector . It has the role of cardioprotective agent . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It has the role of EC 2.7.11.26 (tau-protein kinase) inhibitor . Its functional parent is paullone .  It is also related to or classified as lactam  . It is also related to or classified as organobromine compound  . It is also related to or classified as indolobenzazepine .


The molecule <smiles>CN(C)C(=O)N1N=NN=C1CC1=CC=C(C=C1)C1=CC=CC=C1</smiles> <smiles>CN(C)C(=O)N1N=NN=C1CC1=CC=C(C=C1)C1=CC=CC=C1</smiles> is A member of the class of tetrazoles that is 1H-tetrazole substituted by N,N-dimethylcarbonyl and [biphenyl]-4-ylmethyl groups at positions 1 and 5, respectively. It was developed by Eli Lilly as a potent inhibitor of anandamide re-uptake and fatty acid amide hydrolase, the enzyme responsible for degrading anandamide. It has the role of anxiolytic drug . It has the role of analgesic . It has the role of EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as biphenyls , tetrazoles .


The molecule <smiles>C1COCCN1CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]</smiles> <smiles>C1COCCN1CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]</smiles> is 2-(4-morpholinyl)-N-[(5-nitro-2-furanyl)methylideneamino]acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)NC(=O)C(F)(F)F</smiles> <smiles>CC(=NNC(=O)C1CCCC1)C2=CC=C(C=C2)NC(=O)C(F)(F)F</smiles> is N-[1-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide. It is also related to or classified as anilide  . It is also related to or classified as trifluoroacetamide .


The molecule <smiles>CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC</smiles> <smiles>CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC</smiles> is phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .


The molecule <smiles>COC(=O)N1C(=O)[C@](N1C(=O)OC)(C2CCCC2)C3=CC=CC=C3</smiles> <smiles>COC(=O)N1C(=O)[C@](N1C(=O)OC)(C2CCCC2)C3=CC=CC=C3</smiles> is (3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-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>C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=C5C=CNC5=CC=C4</smiles> <smiles>C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=C5C=CNC5=CC=C4</smiles> is 1H-indole-4-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester. It is also related to or classified as indolyl carboxylic acid .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-phenylthieno[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>COC(=O)CN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3</smiles> <smiles>COC(=O)CN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3</smiles> is 2-(3-phenyl-1-indazolyl)acetic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>COC1=CC=C(C=C1)C=C(C#N)C#N</smiles> <smiles>COC1=CC=C(C=C1)C=C(C#N)C#N</smiles> is tyrphostin 1. It has the role of geroprotector . It is also related to or classified as methoxybenzenes .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)C(F)(F)F</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)C(F)(F)F</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-[3-(trifluoromethyl)phenyl]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>CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3</smiles> <smiles>CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3</smiles> is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC5=C(C=C4)OCO5</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC5=C(C=C4)OCO5</smiles> is 5-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[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>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)OC</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)OC</smiles> is 5-(4-methoxyphenyl)-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>CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C</smiles> <smiles>CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C</smiles> is 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]anilino]acetic acid acetyloxymethyl ester. It is also related to or classified as alpha-amino acid ester  .


The molecule <smiles>CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N</smiles> <smiles>CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N</smiles> is 4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .


The molecule <smiles>CCC[C@H]1CC2=C(C[C@H](CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O</smiles> <smiles>CCC[C@H]1CC2=C(C[C@H](CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O</smiles> is LSM-2963. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=C4SC6=CC=CC=C56</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC5=C4SC6=CC=CC=C56</smiles> is 5-(4-dibenzothiophenyl)-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 dibenzothiophenes .


The molecule <smiles>COC1=CC(=C(C(=C1)F)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)N)F</smiles> <smiles>COC1=CC(=C(C(=C1)F)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)N)F</smiles> is 3-[[4-(2,6-difluoro-4-methoxyphenyl)sulfonyl-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>COC1=CC=C(C=C1)CC2CCN(CC2)C3=C4C=CSC4=NC=N3</smiles> <smiles>COC1=CC=C(C=C1)CC2CCN(CC2)C3=C4C=CSC4=NC=N3</smiles> is 4-[4-[(4-methoxyphenyl)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>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-(4-nitrophenyl)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=C(C=C1)CNC2=NC=NC3=CC=CC=C32</smiles> <smiles>C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC=C32</smiles> is A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4. It is also related to or classified as benzenes , quinazolines , secondary amino compound .


The molecule <smiles>N[C@@H]1[C@@H](O)[C@H](N)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O</smiles> <smiles>N[C@@H]1[C@@H](O)[C@H](N)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O</smiles> is streptamine 4-phosphate. Its functional parent is streptamine . It is also related to or classified as scyllo-inositol phosphate .


The molecule <smiles>C1=CC(=CC(=C1)F)C(=O)NC2=NC=NN2</smiles> <smiles>C1=CC(=CC(=C1)F)C(=O)NC2=NC=NN2</smiles> is 3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide. 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(=O)[C@@](O)([C@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC)C=O</smiles> <smiles>[H]C(=O)[C@@](O)([C@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC)C=O</smiles> is an amino disaccharide that is a 2-deoxy-2-(methylamino)-alpha-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3. It has the role of metabolite . It is also related to or classified as amino disaccharide .


The molecule <smiles>CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2</smiles> <smiles>CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2</smiles> is 4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .


The molecule <smiles>C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5</smiles> <smiles>C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5</smiles> is A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway. It has the role of hypoxia-inducible factor pathway activator . It is also related to or classified as biphenyls , pyridines , 1,2,4-triazines , secondary amino compound .


The molecule <smiles>CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CC2CCCCC2</smiles> <smiles>CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CC2CCCCC2</smiles> is N-[(4-acetamidophenyl)methylideneamino]-2-cyclohexylacetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .


The molecule <smiles>COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C3=C4C=CSC4=NC=N3</smiles> <smiles>COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C3=C4C=CSC4=NC=N3</smiles> is (4-methoxyphenyl)-[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>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)CN(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)CN(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F</smiles> is 1-[(3S,9R,10R)-12-[(2S)-1-(dimethylamino)propan-2-yl]-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-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>C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]</smiles> <smiles>C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]</smiles> is 2-(3-nitroanilino)-N-[(5-nitro-2-furanyl)methylideneamino]acetamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O</smiles> <smiles>CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O</smiles> is an N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of DNA synthesis inhibitor . It is also related to or classified as N-acylglucosamine  . It is also related to or classified as N-nitrosoureas .


The molecule <smiles>CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)C</smiles> <smiles>CCCCCCC(=O)OC1CC(NC(C1)(C)C)(C)C</smiles> is heptanoic acid (2,2,6,6-tetramethyl-4-piperidinyl) ester. It is also related to or classified as fatty acid ester  .


The molecule <smiles>N[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O</smiles> <smiles>N[C@H]1[C@H](O)[C@@H](N)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O</smiles> is a scyllo-inositol phosphate compound having a phosphate group in the 5-position and amino groups in place of hydroxy groups in the 1- and 3-positions. Its functional parent is streptamine . It is also related to or classified as scyllo-inositol phosphate .


The molecule <smiles>COC1=C(C=C(C(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)F)OCC4=CC=CC=C4</smiles> <smiles>COC1=C(C=C(C(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)F)OCC4=CC=CC=C4</smiles> is 4-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2-phenyl-5-oxazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .


The molecule <smiles>CC(C)([C@@H](COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O</smiles> <smiles>CC(C)([C@@H](COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O</smiles> is (2R)-1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .


The molecule <smiles>C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I</smiles> <smiles>C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I</smiles> is N'-[2-(4-iodophenyl)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester. It is also related to or classified as organoiodine compound  .


The molecule <smiles>C1=CC(=CC=C1C(=O)NCCN)Cl</smiles> <smiles>C1=CC(=CC=C1C(=O)NCCN)Cl</smiles> is N-(2-aminoethyl)-4-chlorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccccc1</smiles> <smiles>Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccccc1</smiles> is A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 6 respectively. It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as dihydroxyflavanone .


The molecule <smiles>CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)Br</smiles> <smiles>CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)Br</smiles> is A pyridopyrimidine that is pyrido[3,4-d]pyrimidine-4,6-diamine in which the amino groups at positions 4 and 6 are substituted by a m-bromophenyl group and a methyl group, respectively.  It is a potent, cell-permeable, reversible ATP-competitive inhibitor of EGFR tyrosine kinase activity [IC50 values of 0.008, 49 and 52 nM for EGFR, ErbB2 (HER2) and Erb4 (HER4)]. It does not inhibit FGF or PDGF-mediated tyrosine phosphorylation. Induces G1 cell cycle arrest in MCF10A cells and is antiproliferative in A431 human epidermal carcinoma cells. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It is also related to or classified as diamine  .   It is also related to or classified as pyridopyrimidine  . It is also related to or classified as aromatic amine , bromobenzenes , secondary amino compound .


The molecule <smiles>[H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O[C@@H]1OC(=O)C(C)=C1)C(C)(C)CC[C@@H]3O</smiles> <smiles>[H][C@]12CC3=C([C@@]1([H])OC(=O)\C2=C\O[C@@H]1OC(=O)C(C)=C1)C(C)(C)CC[C@@H]3O</smiles> is A strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group.  It is also related to or classified as secondary alcohol  . It is also related to or classified as indenofuran , strigolactone .


The molecule <smiles>CCSC1=NC(=NC(=N1)C(Cl)Cl)C2=CC=CC=C2</smiles> <smiles>CCSC1=NC(=NC(=N1)C(Cl)Cl)C2=CC=CC=C2</smiles> is 2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine. It is also related to or classified as organic sulfide  . It is also related to or classified as 1,3,5-triazines .


The molecule <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)C4=CC=CC=C4</smiles> <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)C4=CC=CC=C4</smiles> is 2,4-dimethyl-6-phenyl-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>CC1=NC2=C(C=C(C=C2C(=C1)NC(=O)NC3=CC=C(C=C3)N(C)C)F)F</smiles> <smiles>CC1=NC2=C(C=C(C=C2C(=C1)NC(=O)NC3=CC=C(C=C3)N(C)C)F)F</smiles> is 1-(6,8-difluoro-2-methyl-4-quinolinyl)-3-[4-(dimethylamino)phenyl]urea. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .


The molecule <smiles>C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4</smiles> <smiles>C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=N4</smiles> is N-[1-[(cyclohexylamino)-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>CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC</smiles> <smiles>CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC</smiles> is 1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester. It is also related to or classified as pyrazoles , ring assembly .


The molecule <smiles>CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC</smiles> <smiles>CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC</smiles> is N-(6-propoxy-1H-benzimidazol-2-yl)carbamic acid methyl ester. It is also related to or classified as benzimidazoles , carbamate ester .


The molecule <smiles>CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3)OCC</smiles> <smiles>CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CS3)OCC</smiles> is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4Cl</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4Cl</smiles> is 5-(2-chlorophenyl)-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>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4C(F)(F)F</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4C(F)(F)F</smiles> is 4-[(1-methyl-5-tetrazolyl)thio]-5-[2-(trifluoromethyl)phenyl]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>Nc1nc(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1</smiles> <smiles>Nc1nc(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1</smiles> is A ribose 5-triphosphate compound having a 2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-ylamino substituent at the 1-position. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as N-glycosyl compound  . It is also related to or classified as ribose triphosphate , pyrimidone , aminopyrimidine .


The molecule <smiles>C1=CC(=CC=C1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]</smiles> <smiles>C1=CC(=CC=C1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]</smiles> is N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  . It is also related to or classified as trifluoroacetamide , C-nitro compound .


The molecule <smiles>C1=CSC(=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl</smiles> <smiles>C1=CSC(=C1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl</smiles> is N'-[(4-chlorophenyl)-oxomethyl]-2-thiophen-2-yl-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>C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1</smiles> <smiles>C1CCC(=NOC(=O)NCCCCCCNC(=O)ON=C2CCCCC2)CC1</smiles> is N-[6-[[(cyclohexylideneamino)oxy-oxomethyl]amino]hexyl]carbamic acid (cyclohexylideneamino) ester. It is also related to or classified as carbamate ester , organonitrogen compound .


The molecule <smiles>COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl</smiles> <smiles>COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl</smiles> is 3-(4-chlorophenyl)-N-(3-methoxyphenyl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)OC</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)OC</smiles> is 5-(3-methoxyphenyl)-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>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC(=C(C=C4F)F)F</smiles> <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=CC(=C(C=C4F)F)F</smiles> is 2,4-dimethyl-6-[(2,4,5-trifluorophenyl)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>CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C</smiles> <smiles>CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C</smiles> is latrepirdine. It has the role of geroprotector . It is also related to or classified as methylpyridines , pyridoindole .


The molecule <smiles>COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32</smiles> <smiles>COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32</smiles> is 2-[1H-indol-3-yl(oxo)methyl]-4-thiazolecarboxylic acid methyl ester. It is also related to or classified as indolyl carboxylic acid .


The molecule <smiles>C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-]</smiles> <smiles>C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-]</smiles> is 3-nitropropanoic acid [(2R,3R,4S,5R,6R)-6-hydroxy-3,4,5-tris(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .


The molecule <smiles>CC(C)C[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2</smiles> <smiles>CC(C)C[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2</smiles> is (3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-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>C1CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5</smiles> <smiles>C1CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5</smiles> is 2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)-4-quinazolinamine. It is also related to or classified as aromatic amine , tertiary amino compound .


The molecule <smiles>C1CN(CCC1OC2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1OC2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> is 4-(4-phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine. 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=CC=CC=C1NC2=NC(=NC(=N2)N3CCCC3)NCCO</smiles> <smiles>CC(=O)NC1=CC=CC=C1NC2=NC(=NC(=N2)N3CCCC3)NCCO</smiles> is N-[2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .


The molecule <smiles>OC1=C(NC(=O)NC2=CC=CC=C2Br)C=CC(=C1)[N+]([O-])=O</smiles> <smiles>OC1=C(NC(=O)NC2=CC=CC=C2Br)C=CC(=C1)[N+]([O-])=O</smiles> is A member of the class of phenylureas that is urea in which one of the amino groups is substituted by a (2-bromophenyl)amino group while the other is substituted by a (2-hydroxy-4-nitrophenyl)amino group. It is a potent CXCR2 chemokine receptor antagonist (IC50 = 22 nM). It has the role of antinociceptive agent . It has the role of CXCR2 antagonist . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It is also related to or classified as phenylureas , nitrophenol , bromobenzenes .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4Br</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4Br</smiles> is 5-(2-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>CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=O)OC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5</smiles> <smiles>CC(C)C(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C=C(C3=O)C(=O)OC(C)C)CC4=C(C=CC=C4F)F)CN(C)CC5=CC=CC=C5</smiles> is 7-[(2,6-difluorophenyl)methyl]-2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[[methyl-(phenylmethyl)amino]methyl]-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid propan-2-yl ester. It is also related to or classified as isopropyl ester  . It is also related to or classified as thienopyridine .


The molecule <smiles>CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Br</smiles> <smiles>CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Br</smiles> is N-[1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinyl]carbamic acid tert-butyl ester. It is also related to or classified as dialkylarylamine , tertiary amino compound .


The molecule <smiles>COC1CCC(CC1)C(=O)C2=CC3=CC4=C(N=C3C=C2)OCCC4</smiles> <smiles>COC1CCC(CC1)C(=O)C2=CC3=CC4=C(N=C3C=C2)OCCC4</smiles> is 3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .


The molecule <smiles>CC(=O)N1CCC(=CC1)C2=CC(=C(C=C2)OC(=O)C)OC</smiles> <smiles>CC(=O)N1CCC(=CC1)C2=CC(=C(C=C2)OC(=O)C)OC</smiles> is acetic acid [4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-methoxyphenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Cl</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Cl</smiles> is 5-(4-chlorophenyl)-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(=O)NP(=O)(N)N)F</smiles> <smiles>C1=CC(=CC=C1C(=O)NP(=O)(N)N)F</smiles> is N-diaminophosphoryl-4-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1</smiles> <smiles>OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1</smiles> is N-succinylsulfathiazole. Its functional parent is sulfathiazole . It is also related to or classified as 1,3-thiazoles .


The molecule <smiles>CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC(=C(C=C2)F)F</smiles> <smiles>CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC(=C(C=C2)F)F</smiles> is 4-[2-[[(3,4-difluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .


The molecule <smiles>CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCl</smiles> <smiles>CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)CCl</smiles> is 2-chloro-N-(2-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .


The molecule <smiles>CC(=O)C1=CC=CC=C1C2=CSC3=C2C(=NC=N3)SC4=NN=NN4C</smiles> <smiles>CC(=O)C1=CC=CC=C1C2=CSC3=C2C(=NC=N3)SC4=NN=NN4C</smiles> is 1-[2-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone. It is also related to or classified as thienopyrimidine  . It is also related to or classified as aromatic ketone .


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-3557. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .


The molecule <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=C(C=C(C=C4)F)F</smiles> <smiles>CC1=CC2=C(S1)C3=C(N2C)C(=O)N(N=C3)CC4=C(C=C(C=C4)F)F</smiles> is 6-[(2,4-difluorophenyl)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>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)S(=O)(=O)C</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)S(=O)(=O)C</smiles> is 5-(3-methylsulfonylphenyl)-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>CN1C2=C(C3=C1C(=O)N(N=C3)CC4=C(C=C(C=C4)F)F)SC(=C2)Br</smiles> <smiles>CN1C2=C(C3=C1C(=O)N(N=C3)CC4=C(C=C(C=C4)F)F)SC(=C2)Br</smiles> is 2-bromo-6-[(2,4-difluorophenyl)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>CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O</smiles> <smiles>CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O</smiles> is octanoic acid [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-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>CN(CC#CCN1CCCC1)C(=O)C2=CC(=CC=C2)Cl</smiles> <smiles>CN(CC#CCN1CCCC1)C(=O)C2=CC(=CC=C2)Cl</smiles> is 3-chloro-N-methyl-N-[4-(1-pyrrolidinyl)but-2-ynyl]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)N(C1=CC=CC=C1OC)N=C2C(=O)C3=CC=CC=C3S2</smiles> <smiles>CC(=O)N(C1=CC=CC=C1OC)N=C2C(=O)C3=CC=CC=C3S2</smiles> is N-(2-methoxyphenyl)-N-[(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .


The molecule <smiles>CC(C)[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2</smiles> <smiles>CC(C)[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2</smiles> is A hydroxamic acid that is N-hydroxy-D-valinamide in which the alpha-amino group has been substituted by isopropoxy and [biphenyl]-4-ylsulfonyl groups. A selective matrix metalloproteinase-2 (MMP-2) inhibitor, it is one of the most potent inducers of autophagy. Its physiological roles include angiogenesis, cancer metastasis, embryogenesis, tissue remodeling in development, and wound healing. It has the role of autophagy inducer . It has the role of antineoplastic agent . It has the role of melanin synthesis inhibitor . It has the role of EC 3.4.24.24 (gelatinase A) inhibitor . It is also related to or classified as hydroxamic acid , D-valine derivative .


The molecule <smiles>Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1</smiles> <smiles>Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1</smiles> is A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2. It has the role of antimicrobial agent . It has the role of antiinfective agent . It has the role of EC 2.5.1.15 (dihydropteroate synthase) inhibitor . It has the role of drug allergen .   It is also related to or classified as sulfonamide  . It is also related to or classified as thiadiazoles , sulfonamide antibiotic .


The molecule <smiles>C1CN(CCC1C(=O)C2=CC=CS2)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCC1C(=O)C2=CC=CS2)C3=C4C=CSC4=NC=N3</smiles> is [1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]-thiophen-2-ylmethanone. 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>COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC</smiles> <smiles>COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC</smiles> is A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial. It has the role of antibacterial drug . It has the role of antimalarial . It is also related to or classified as sulfonamide  . It is also related to or classified as pyrimidines .


The molecule <smiles>CCC(=O)N(c1ccccc1)C1(CCN(CCc2cccs2)CC1)COC</smiles> <smiles>CCC(=O)N(c1ccccc1)C1(CCN(CCc2cccs2)CC1)COC</smiles> is an anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid. It has the role of opioid analgesic . It has the role of intravenous anaesthetic . It has the role of mu-opioid receptor agonist . It has the role of anaesthesia adjuvant . It is also related to or classified as anilide  . It is also related to or classified as ether  . It is also related to or classified as piperidines , thiophenes .


The molecule <smiles>C1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O</smiles> <smiles>C1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O</smiles> is 2-(2-phenylethylthio)-3-pyridinecarboxylic acid. It is also related to or classified as pyridines , aromatic carboxylic acid .


The molecule <smiles>[N+](=O)([O-])O.C1(=CC=C(C=C1)CSC(CN2C=NC=C2)C3=C(C=C(C=C3)Cl)Cl)Cl</smiles> <smiles>[N+](=O)([O-])O.C1(=CC=C(C=C1)CSC(CN2C=NC=C2)C3=C(C=C(C=C3)Cl)Cl)Cl</smiles> is Sulconazole nitrate. It is also related to or classified as organic nitrate salt , imidazole antifungal drug , conazole antifungal drug .


The molecule <smiles>C1CN(CCN1CC2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> <smiles>C1CN(CCN1CC2=CC=CC=C2)C3=C4C=CSC4=NC=N3</smiles> is 4-[4-(phenylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as N-arylpiperazine .


The molecule <smiles>COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NNC(=S)NC3=CC=C(C=C3)Cl</smiles> <smiles>COC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C=NNC(=S)NC3=CC=C(C=C3)Cl</smiles> is 5-[[[(4-chloroanilino)-sulfanylidenemethyl]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>C=1(C=CC(=CC1)N)S(NC2=NC=CS2)(=O)=O</smiles> <smiles>C=1(C=CC(=CC1)N)S(NC2=NC=CS2)(=O)=O</smiles> is A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position. It has the role of antiinfective agent . It has the role of xenobiotic . It has the role of EC 2.5.1.15 (dihydropteroate synthase) inhibitor . It has the role of environmental contaminant . It has the role of drug allergen . Its functional parent is sulfanilamide .    It is also related to or classified as sulfonamide  . It is also related to or classified as 1,3-thiazoles , substituted aniline , sulfonamide antibiotic .


The molecule <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)F</smiles> <smiles>CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC(=CC=C4)F</smiles> is 5-(3-fluorophenyl)-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 .