anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1C=CC=C(C(=O)NC2C(=CNN3CCN(CC3)C)C(=O)C4=C5C(=C(C(=C4C2=O)O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C CC1C=CC=C(C(=O)NC2C(=CNN3CCN(CC3)C)C(=O)C4=C5C(=C(C(=C4C2=O)O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C is LSM-5167. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C is Terbacil. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyrimidines .
The molecule CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O is 2-naphthalenesulfonic acid propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester. It is also related to or classified as stilbenoid .
The molecule COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 is terazosin. It has the role of antineoplastic agent . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It is also related to or classified as furans , piperazines , quinazolines , primary amino compound .
The molecule CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2] CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2] is magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide. It is also related to or classified as sulfoxide  . It is also related to or classified as benzimidazoles .
The molecule C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O.S(O)(O)(=O)=O.C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O.S(O)(O)(=O)=O.C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O is terbutaline sulfate. Its functional parent is terbutaline . It is also related to or classified as ethanolamine sulfate salt .
The molecule CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C is 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(C)C)C CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(C)C)C is 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-methylpropyl) ester. It is also related to or classified as dihydropyridine  .
The molecule CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide. It is also related to or classified as sulfonamide  . It is also related to or classified as thiadiazoles .
The molecule Oc1ccc(cc1)N=C1C=C(Cl)C(=O)C(Cl)=C1 Oc1ccc(cc1)N=C1C=C(Cl)C(=O)C(Cl)=C1 is A  quinone imine that is indophenol substituted by chloro groups at positions 2 and 6. It has the role of reagent . It has the role of dye . Its functional parent is indophenol . It is also related to or classified as phenols  . It is also related to or classified as organochlorine compound  . It is also related to or classified as quinone imine .
The molecule C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2 C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2 is 3-[[oxo(pyridin-4-yl)methyl]hydrazo]-N-(phenylmethyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)OC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O CC(C)OC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O is 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester. It is also related to or classified as prostanoid  . It is also related to or classified as isopropyl ester  .
The molecule C=1(OC[C@H]2[C@](C=3C=CC(=CC3)F)(CCN(C2)C)[H])C=C4C(OCO4)=CC1 C=1(OC[C@H]2[C@](C=3C=CC(=CC3)F)(CCN(C2)C)[H])C=C4C(OCO4)=CC1 is A member of the class of benzodioxoles that is paroxetine in which the piperidine hydrogen is substituted by a methyl group. It is a drug impurity of the antidepressant, paroxetine. It has the role of impurity . It has the role of serotonin uptake inhibitor . It has the role of apoptosis inducer . Its functional parent is paroxetine .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , aromatic ether , benzodioxoles , tertiary amino compound .
The molecule C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)C)O)OC)C)C)C)OC C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)C)O)OC)C)C)C)OC is LSM-5313. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O is (6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. It is also related to or classified as cephalosporin  . It is also related to or classified as ketoxime  . It is also related to or classified as 1,3-thiazoles .
The molecule C1[C@@H]2N(C1=O)[C@H](C(=CCO)O2)C(=O)O C1[C@@H]2N(C1=O)[C@H](C(=CCO)O2)C(=O)O is (2R,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C is 2,6-dimethyl-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as cinnamate ester .
The molecule C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)(C)C(=O)O is (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-(3-carboxy-1-oxopropoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.  It is also related to or classified as triterpenoid  . It is also related to or classified as hemisuccinate .
The molecule C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO is N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]-2-propenamide. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule COC1=NC(C)=CN=C1NS(=O)(=O)C1=C(N=CC=C1)C1=CC=C(C=C1)C1=NN=CO1 COC1=NC(C)=CN=C1NS(=O)(=O)C1=C(N=CC=C1)C1=CC=C(C=C1)C1=NN=CO1 is A member of the class of pyridinesulfonamides that is benzene substituted by 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]pyridin-2-yl and 1,3,4-oxadiazol-2-yl groups at positions 1 and 4, respectively. It is an endothelin A receptor antagonist with potential antineoplastic activity. It has the role of antineoplastic agent . It has the role of antihypertensive agent . It has the role of endothelin A receptor antagonist . It is also related to or classified as benzenes , aromatic ether , phenylpyridine , pyrazines , 1,3,4-oxadiazoles , pyridinesulfonamide .
The molecule CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC is N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC=C(C=C3)O CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC=C(C=C3)O is 4-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule CON=C(C1=CC=CO1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O CON=C(C1=CC=CO1)C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O is LSM-5500.  It is also related to or classified as cephalosporin  . It is also related to or classified as carbamate ester .
The molecule CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C is 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester. It is also related to or classified as retinyl ester  .
The molecule C1=CC=C(C(=C1)N)S(=O)(=O)N C1=CC=C(C(=C1)N)S(=O)(=O)N is 2-aminobenzenesulfonamide.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule NC1=CC=C(C=C1)S(=O)(=O)NC(N)=N NC1=CC=C(C=C1)S(=O)(=O)NC(N)=N is A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine. It has the role of antiinfective agent . It is also related to or classified as sulfonamide antibiotic .
The molecule CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O is (6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. It is also related to or classified as secondary carboxamide  . It is also related to or classified as dicarboxylic acid .
The molecule C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O is 3-[[4-[(2-carboxyethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H] [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H] is testolactone.  It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as seco-androstane .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1 [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1 is testosterone cypionate. Its functional parent is testosterone . Its functional parent is 3-cyclopentylpropionic acid . It is also related to or classified as sterol ester  .
The molecule C1=CC=NC(=C1)CNC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2 C1=CC=NC(=C1)CNC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2 is N-[1,1,1,3,3,3-hexafluoro-2-(2-pyridinylmethylamino)propan-2-yl]-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule CC[N+]1=CC=CC=C1Br CC[N+]1=CC=CC=C1Br is 2-bromo-1-ethylpyridin-1-ium. It is also related to or classified as organohalogen compound  . It is also related to or classified as pyridines .
The molecule [H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(N)C(O)=O [H][C@@]12[C@@H](C(O)=O)[C@]1([H])S(=O)(=O)C[C@@]2(N)C(O)=O is an organic heterobicyclic compound that is (1S,5R)-2-thiabicyclo[3.1.0]hexane carrying oxo, oxo, amino, carboxy, and carboxy groups at positions 2, 2, 4S, 4S, and 6S, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 mGluR3 (Ki = 149 nM and 92 nM, respectively) and exhibits antipsychotic and anxiolytic efficacy in animal models. It has the role of anxiolytic drug . It has the role of antipsychotic agent . It has the role of dopamine agonist . It has the role of metabotropic glutamate receptor agonist .   It is also related to or classified as sulfone  . It is also related to or classified as organic heterobicyclic compound , dicarboxylic acid , bridged compound , non-proteinogenic amino acid derivative .
The molecule CN1C(=O)OC(C)(C)C1=O CN1C(=O)OC(C)(C)C1=O is an oxazolidinone that is 1,3-oxazolidine-2,4-dione substituted by methyl groups at positions 3, 5 and 5. It is an antiepileptic agent. It has the role of geroprotector . It has the role of anticonvulsant . It is also related to or classified as oxazolidinone .
The molecule CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3 CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3 is 6,7-dimethyl-2-phenylquinoxaline. It has the role of geroprotector . It is also related to or classified as quinoxaline derivative .
The molecule C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(=C[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC is LSM-5437. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43 is 1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester. It is also related to or classified as indolyl carboxylic acid .
The molecule CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(C#C)O CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@]2(C#C)O is (8S,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule NC1=CC=C(C=C1)S(=O)(=O)NC(C=2C=CC=CC2)=O NC1=CC=C(C=C1)S(=O)(=O)NC(C=2C=CC=CC2)=O is A sulfonamide containing a benzamido substituent on nitrogen. An antibacterial/antimicrobial, it is often used in conjunction with sulfathiazole and sulfacetamide as a topical, intravaginal antibacterial preparation. It has the role of antimicrobial drug . It has the role of antibacterial drug .   It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes , sulfonamide antibiotic .
The molecule [C@@]1(OC([C@]1(CCCCCC)[H])=O)(C[C@H](CCCCCCCCCCC)OC([C@@H](NC(=O)[H])CC(C)C)=O)[H] [C@@]1(OC([C@]1(CCCCCC)[H])=O)(C[C@H](CCCCCCCCCCC)OC([C@@H](NC(=O)[H])CC(C)C)=O)[H] is A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. It has the role of EC 3.1.1.3 (triacylglycerol lipase) inhibitor . It has the role of EC 2.3.1.85 (fatty acid synthase) inhibitor . It has the role of anti-obesity agent . It has the role of bacterial metabolite .    It is also related to or classified as carboxylic ester  . It is also related to or classified as formamides , L-leucine derivative , beta-lactone .
The molecule C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N is pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. It has the role of diuretic . It has the role of sodium channel blocker . It is also related to or classified as pteridines .
The molecule C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O is (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C is 2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. It is also related to or classified as penicillin  . It is also related to or classified as pivalate ester  .
The molecule C[C@]12CC[C@H]3[C@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)O C[C@]12CC[C@H]3[C@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)O is (8R,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C is 2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. It is also related to or classified as pivaloyloxymethyl ester  .  It is also related to or classified as formamidines  . It is also related to or classified as penicillanic acid ester .
The molecule 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 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 is LSM-5735. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCC [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCC is testosterone enanthate. It has the role of androgen . Its functional parent is testosterone . It is also related to or classified as sterol ester  . It is also related to or classified as heptanoate ester  .
The molecule N1(C(N(C2=C(C1=O)N(C=N2)CC3OCCO3)C)=O)C N1(C(N(C2=C(C1=O)N(C=N2)CC3OCCO3)C)=O)C is an oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma. It has the role of bronchodilator agent . It has the role of anti-asthmatic drug . It has the role of antitussive . Its functional parent is 7H-xanthine . It is also related to or classified as oxopurine .
The molecule O=C(NO)CCCCCCSC=1C=CC=2C=CC=CC2C1 O=C(NO)CCCCCCSC=1C=CC=2C=CC=CC2C1 is A member of the class of naphthalenes that is naphthalene substituted by a [7-(hydroxyamino)-7-oxoheptyl]sulfanediyl group at position 2. It is a  histone deacetylase inhibitor that exhibits antineoplastic activity. It has the role of antifibrotic agent . It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as hydroxamic acid , naphthalenes , aryl sulfide .
The molecule C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C is (1S,3aS,3bR,5aR,9aR,9bR,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC is carbamic acid [(3R,5S,6R,7S,10S,11S)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1C[C@@H](C[C@]2([C@@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br CN1C[C@@H](C[C@]2([C@@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br is 5-bromo-3-pyridinecarboxylic acid [(6aS,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl ester. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule C[C@]12CC[C@H]3[C@H]([C@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O C[C@]12CC[C@H]3[C@H]([C@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O is (8R,9S,13S,14R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O is LSM-5686. It is also related to or classified as cephalosporin  . It is also related to or classified as quaternary nitrogen compound .
The molecule CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12 CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12 is A member of the class of methylindoles that is 1H-indole substituted by methyl and [({1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl}methyl)amino]methyl groups at positions 1 and 3, respectively. It is an orally bioavailable pan-HDAC inhibitor that exhibits antineoplastic activity. It has the role of radiosensitizing agent . It has the role of autophagy inducer . It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of bone density conservation agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor .   It is also related to or classified as methylindole  . It is also related to or classified as hydroxamic acid , piperidines , pyrimidines , secondary amino compound .
The molecule C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC is carbamic acid [(3R,5S,6R,7S,10S,11S)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O is (8R,9S,13S,14R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1 OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1 is A secondary carboxamide resulting from the formal condensation of the carboxy group of 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid with the amino group of (2S)-3-aminopropane-1,2-diol. It is a potent inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 with potential antineoplastic activity. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as primary alcohol  . It is also related to or classified as diol  .  It is also related to or classified as secondary alcohol  .  It is also related to or classified as difluorobenzene  . It is also related to or classified as pyridinecarboxamide , aminopyridine , substituted aniline .
The molecule CN1CCN2[C@@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4 CN1CCN2[C@@H](C1)C3=CC=CC=C3CC4=C2N=CC=C4 is LSM-5894. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1 is A salicylanilide derivative where the hydrogens at positions 2, 3, 4 and 5 are substituted by chlorine. It is also related to or classified as salicylanilides .