anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCS(=O)(=O)N[C@@H]1C[C@@]2([C@@H]3[C@H]([C@]1(O2)C)C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C CCS(=O)(=O)N[C@@H]1C[C@@]2([C@@H]3[C@H]([C@]1(O2)C)C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C is N-[(3aR,4R,5R,7R,7aS)-2-[4-cyano-3-(trifluoromethyl)phenyl]-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindol-5-yl]ethanesulfonamide. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4 is N-[(3S,9S,10R)-9-[[[anilino(oxo)methyl]-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1C2=CC=CC=C2C(=O)N(C3=CN=C(N=C31)NC4=CC(=CC=C4)NC(=O)C=CCN(C)C)C CN1C2=CC=CC=C2C(=O)N(C3=CN=C(N=C31)NC4=CC(=CC=C4)NC(=O)C=CCN(C)C)C is LSM-6299. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC2CCCC2 CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC2CCCC2 is (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-2-phenylacetic acid cyclopentyl ester. It is also related to or classified as secondary carboxamide  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as hydroxamic acid .
The molecule [Cl-].[Cl-].COc1cc(ccc1-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)-c1ccc(c(OC)c1)-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1 [Cl-].[Cl-].COc1cc(ccc1-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)-c1ccc(c(OC)c1)-[n+]1nc(nn1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1 is an organic chloride salt having nitro blue tetrazolium(2+) as the counterion. It is also related to or classified as organic chloride salt .
The molecule OC1=CC=CC(C(=O)NC2=CC(NC(=O)C3=C(O)C(O)=CC=C3)=CC=C2)=C1O OC1=CC=CC(C(=O)NC2=CC(NC(=O)C3=C(O)C(O)=CC=C3)=CC=C2)=C1O is A member of the class of benzamides that results from the formal condensation of the two amino groups of benzene-1,3-diamine with the carboxylic acid groups of two molar equivalents of 2,3-dihydroxybenzoic acid. It is telomerase inhibitor (IC50 = 0.67 muM in a TRAP assay) and exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of EC 2.7.7.49 (RNA-directed DNA polymerase) 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 catechols  . It is also related to or classified as benzamides .
The molecule C1CC1NC(=O)C2=NOC(=C2)C3=CC=CS3 C1CC1NC(=O)C2=NOC(=C2)C3=CC=CS3 is N-cyclopropyl-5-thiophen-2-yl-3-isoxazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule CC1=CC=C(C=C1)C2=NC(=NC(=N2)SC)C(Cl)Cl CC1=CC=C(C=C1)C2=NC(=NC(=N2)SC)C(Cl)Cl is 2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthio)-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 CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl CC1=CN=C(N=C1C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl is 4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule CCCC=CC=CC(=O)O[C@H]1C(=CC(=O)OC)C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4CC(=CC(=O)OC)C[C@@H](O4)C=CC([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O CCCC=CC=CC(=O)O[C@H]1C(=CC(=O)OC)C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4CC(=CC(=O)OC)C[C@@H](O4)C=CC([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O is LSM-6313. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1 ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1 is A member of the class of pyrimidines that is pyrimidine substituted by diphenylamino and [7-(hydroxyamino)-7-oxoheptyl]aminocarbonyl groups at positions 2 and 5, respectively. It is a histone deacetylase 6 inhibitor with potential antineoplastic activity. 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 anti-inflammatory agent . 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 , pyrimidinecarboxamide , substituted aniline , tertiary amino compound .
The molecule N=1C=2C=C(OCCCN3CCCC3)C(OC)=CC2C(=NC1C4CCCCC4)NC5CCN(CC5)C(C)C N=1C=2C=C(OCCCN3CCCC3)C(OC)=CC2C(=NC1C4CCCCC4)NC5CCN(CC5)C(C)C is A member of the class of quinazolines that is quinazoline substituted by cyclohexyl, [1-(propan-2-yl)piperidin-4-yl]amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It inhibits G9a and GLP histone methyltransferase activity (IC50 = <15 nM and <20 nM, respectively). It has the role of antiviral agent . It has the role of antineoplastic agent . It is also related to or classified as aromatic ether , pyrrolidines , quinazolines , aminopiperidine , secondary amino compound , tertiary amino compound .
The molecule CC1=C(SC2=C1C(=N[C@@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C CC1=C(SC2=C1C(=N[C@@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C is LSM-6333. It is also related to or classified as tert-butyl ester  . It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)/C=C/C(=O)NO CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)/C=C/C(=O)NO is A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours. It has the role of antineoplastic agent . It has the role of antimalarial . 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 benzimidazole  . It is also related to or classified as hydroxamic acid , tertiary amino compound , olefinic compound .
The molecule O=C(OCC)CCNC1=NC(=NC(=C1)N2CCC=3C=CC=CC3CC2)C4=NC=CC=C4 O=C(OCC)CCNC1=NC(=NC(=C1)N2CCC=3C=CC=CC3CC2)C4=NC=CC=C4 is A member of the class of aminopyrimidines that is pyrimidine substituted by pyridin-2-yl, 3-ethoxy-3-oxopropylamino, and 1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl groups at positions 2, 4, and 6, respectively. It is an inhibitor of the histone demethylase JMJD3/UTX. It has the role of ferroptosis inducer . It has the role of EC 1.14.11.68 ([histone H3]-trimethyl-L-lysine(27) demethylase) inhibitor . It has the role of antineoplastic agent . It has the role of prodrug . Its functional parent is GSK-J1 . It is also related to or classified as ethyl ester  .  It is also related to or classified as benzazepine  . It is also related to or classified as pyridines , aminopyrimidine , secondary amino compound , tertiary amino compound .
The molecule COC1=C(C=C2N=CC3=C(N([C@H](C)C4=CC=CC=N4)C(=O)N3)C2=C1)C1=C(C)ON=C1C COC1=C(C=C2N=CC3=C(N([C@H](C)C4=CC=CC=N4)C(=O)N3)C2=C1)C1=C(C)ON=C1C is A member of the class of imidazoquinolines that is 1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one substituted by (1R)-1-(pyridin-2-yl)ethyl, 3,5-dimethyl-1,2-oxazol-4-yl, and methoxy groups at positions 1, 7, and 8, respectively. It is a pan-BET bromodomain inhibitor. It has the role of BET bromodomain inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer .    It is also related to or classified as isoxazoles  . It is also related to or classified as pyridines , aromatic ether , imidazoquinoline .
The molecule CCC1=C2N=C(C=C(NCC3=C[N+]([O-])=CC=C3)N2N=C1)N1CCCC[C@H]1CCO CCC1=C2N=C(C=C(NCC3=C[N+]([O-])=CC=C3)N2N=C1)N1CCCC[C@H]1CCO is A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine substituted by ethyl, (2S)-2-(2-hydroxyethyl)piperidin-1-yl, and [(1-oxidopyridin-3-yl)methyl]amino groups at positions 3, 5, and 7, respectively. It is a potent pan-cyclin dependent kinase inhibitor that exhibits antineoplastic activity. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of EC 2.7.11.22 (cyclin-dependent kinase) inhibitor . It is also related to or classified as primary alcohol  . It is also related to or classified as piperidines , pyridine N-oxides , pyrazolopyrimidine , secondary amino compound , tertiary amino compound .
The molecule C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)Br C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)Br is (5-bromo-3-pyridinyl)-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule COC(=O)\C=C\C(=O)N(O)CCCCNCC1=CC=C(COC(=O)NC2=CC=CC3=CC=CC=C23)C=C1 COC(=O)\C=C\C(=O)N(O)CCCCNCC1=CC=C(COC(=O)NC2=CC=CC3=CC=CC=C23)C=C1 is A member of the class of naphthalenes that is naphthalene substituted by a {[(4-{[(4-{hydroxy[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}butyl)amino]methyl}benzyl)oxy]carbonyl}amino group at position 1. It is an inhibitor of the Jumonji C domain-containing histone trimethyl demethylases. It has the role of antineoplastic agent . It has the role of apoptosis inducer .    It is also related to or classified as methyl ester  .   It is also related to or classified as enoate ester  . It is also related to or classified as enamide  . It is also related to or classified as benzenes , carbamate ester , hydroxamic acid , naphthalenes , secondary amino compound .
The molecule CC1CC(C(C(C=C(C(C(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 CC1CC(C(C(C=C(C(C(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 [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 CC(C)C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H](NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC CC(C)C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H](NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC is LSM-6260. It is also related to or classified as tert-butyl ester  . It is also related to or classified as beta-carbolines .
The molecule C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I is 4-iodo-3-nitrobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)[C@H](C8(C)C)CCC(=O)N)[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] is cobalt(3+) [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate cyanidecobalt(3+) [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate cyanidecobalt(3+) [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,7S,12S,13S,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] hydrogen. It is also related to or classified as cobalt corrinoid .
The molecule CNC1[C@H](O[C@H]2CC([C@H](OC2C1O)OC3[C@@H](C([C@@H](CC3N)N)O)O)N)O[C@@H]4C([C@H]([C@@H](C(O4)CO)N)O)O CNC1[C@H](O[C@H]2CC([C@H](OC2C1O)OC3[C@@H](C([C@@H](CC3N)N)O)O)N)O[C@@H]4C([C@H]([C@@H](C(O4)CO)N)O)O is (2R,4S,5S)-2-[[(2R,6S,8aS)-7-amino-6-[(2R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule 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)OC([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)OC([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-6436. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O is 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 CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]4[C@@H]3CC=CC(=O)NCCC[C@H]5C(=O)C(C(=O)CC4)C(=O)N5)C CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]4[C@@H]3CC=CC(=O)NCCC[C@H]5C(=O)C(C(=O)CC4)C(=O)N5)C is LSM-6419. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCC(C(C1)CC(=O)O)CN C1CCC(C(C1)CC(=O)O)CN is 2-[2-(aminomethyl)cyclohexyl]acetic acid. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COC1=C(NS(=O)(=O)C2=CC=C(F)C=C2F)C=C(C=N1)C1=CC2=C(C=CN=C2C=C1)C1=CN=NC=C1 COC1=C(NS(=O)(=O)C2=CC=C(F)C=C2F)C=C(C=N1)C1=CC2=C(C=CN=C2C=C1)C1=CN=NC=C1 is A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors. It has the role of radiosensitizing agent . It has the role of autophagy inducer . It has the role of anticoronaviral agent . It has the role of antifibrotic agent . It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of mTOR inhibitor .   It is also related to or classified as sulfonamide  .   It is also related to or classified as difluorobenzene  . It is also related to or classified as pyridines , quinolines , aromatic ether , pyridazines .
The molecule C[C@H]([C@@H](O)CC=C(C)C)[C@H]1[C@@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]4(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O C[C@H]([C@@H](O)CC=C(C)C)[C@H]1[C@@H](O)C[C@@]2(C)[C@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]4(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is Thalicoside A.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C is 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC is (2S,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H]([C@H](C([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@H]([C@H](C([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O is (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)[C@H]2OC3=C(C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1 OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)[C@H]2OC3=C(C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1 is A biflavonoid that is obtained by coupling of two molecules of (-)-epigallocatechin 3-gallate resulting in a bond between positions C-2 of the hydroxyphenyl ring. It is a natural product found in oolong tea. It has the role of anticoronaviral agent . It has the role of hypoglycemic agent . It has the role of hepatoprotective agent . It has the role of melanin synthesis inhibitor . It has the role of anti-inflammatory agent . It has the role of EC 3.2.1.20 (alpha-glucosidase) inhibitor . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is (-)-epigallocatechin 3-gallate . It is also related to or classified as proanthocyanidin , gallate ester , biflavonoid .
The molecule C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]16CCC(CN6)C C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]16CCC(CN6)C is LSM-6471. It is also related to or classified as steroid  . It is also related to or classified as azaspiro compound , oxaspiro compound .
The molecule C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(O3)[N+](=O)[O-] C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=CC=C(O3)[N+](=O)[O-] is 5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O is 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 CCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(C=CC(OC)=C2)N2C(C)=NN=C12 CCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(C=CC(OC)=C2)N2C(C)=NN=C12 is A member of the class of triazolobenzodiazepine that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine substituted by methyl, 2-(ethylamino)-2-oxoethyl, 4-chlorophenyl, and methoxy groups at positions 1, 4S, 6, and 8, respectively. It is an orally bioavailable inhibitor of BET family of proteins that has demonstrated antitumour activity in preclinical models of solid and hematologic malignancies. It has the role of bromodomain-containing protein 4 inhibitor . It has the role of antineoplastic agent . 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 triazolobenzodiazepine , aromatic ether , monochlorobenzenes .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F is 1-[(3R,9R,10S)-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]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C is 2-[2-(diethylamino)ethylamino]-2-phenylacetic acid 3-methylbutyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule C[N+]1(C[C@H]([C@H](C1)O)C(=O)O)C C[N+]1(C[C@H]([C@H](C1)O)C(=O)O)C is (3R,4R)-4-hydroxy-1,1-dimethyl-3-pyrrolidin-1-iumcarboxylic acid.  It is also related to or classified as carboxylic acid  . It is also related to or classified as pyrrolidinecarboxylic acid .
The molecule CC1CCC(CC1)NC(=O)N(CCCl)[NH2+][O-] CC1CCC(CC1)NC(=O)N(CCCl)[NH2+][O-] is LSM-6547. It is also related to or classified as carbohydrazide  . It is also related to or classified as ureas .
The molecule CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br is 5-bromo-3-pyridinecarboxylic acid (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 CC1=CC=C(C=C1)C2=CCC3=CC(=CC(=C3C2=C)C)C CC1=CC=C(C=C1)C2=CCC3=CC(=CC(=C3C2=C)C)C is 5,7-dimethyl-4-methylene-3-(4-methylphenyl)-1H-naphthalene. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule C1=CC(=NC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl C1=CC(=NC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl is 2-chloro-N-[6-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-2-pyridinyl]-5-nitrobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O[C@@H]1C[C@](O)(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)C(O)=O O[C@@H]1C[C@](O)(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)C(O)=O is A gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). Its functional parent is (-)-quinic acid . Its functional parent is gallic acid .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as monocarboxylic acid , gallate ester .
The molecule C1CSC(=N1)NC(=O)C=CC2=CC(=C(C=C2)Cl)Cl C1CSC(=N1)NC(=O)C=CC2=CC(=C(C=C2)Cl)Cl is 3-(3,4-dichlorophenyl)-N-(4,5-dihydrothiazol-2-yl)-2-propenamide. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F is 1-[(3R,9S,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]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .