anonymous041/ChEBI-Augmented huggingface dataset:
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)COCC4=CC=C(C=C4)OC)C)CN(C)S(=O)(=O)C5=CC=C(C=C5)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)COCC4=CC=C(C=C4)OC)C)CN(C)S(=O)(=O)C5=CC=C(C=C5)F is 1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CN(CCN1C(=O)C2=C(C=CC=C2F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 C1CN(CCN1C(=O)C2=C(C=CC=C2F)F)S(=O)(=O)C3=CC4=C(C=C3)OCCO4 is (2,6-difluorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methanone. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [H][C@]12[C@H](O)CCCN1C[C@@H](O)[C@H]2O [H][C@]12[C@H](O)CCCN1C[C@@H](O)[C@H]2O is an indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. It has the role of antineoplastic agent . It has the role of immunological adjuvant . It has the role of EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor . It has the role of plant metabolite . It is also related to or classified as indolizidine alkaloid .
The molecule CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2 CC(C)[C@@]1(C(=O)N(N1C(=O)OC)C(=O)OC)C2=CC=CC=C2 is (3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COC1=C2C(=CC(=C1C=O)O)C(=O)C3=CC=CC=C3C2=O COC1=C2C(=CC(=C1C=O)O)C(=O)C3=CC=CC=C3C2=O is 3-hydroxy-1-methoxy-9,10-dioxo-2-anthracenecarboxaldehyde. It is also related to or classified as aldehyde  . It is also related to or classified as monohydroxyanthraquinone .
The molecule [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CC=C(C=C1NC(=O)C1=CC(NC(=O)NC2=CC=CC(=C2)C(=O)NC2=CC(=CC=C2C)C(=O)NC2=CC=C(C3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)=CC=C1)C(=O)NC1=CC=C(C2=CC(=CC(=C12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CC=C(C=C1NC(=O)C1=CC(NC(=O)NC2=CC=CC(=C2)C(=O)NC2=CC(=CC=C2C)C(=O)NC2=CC=C(C3=CC(=CC(=C23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)=CC=C1)C(=O)NC1=CC=C(C2=CC(=CC(=C12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O is an organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness. It has the role of antinematodal drug . It has the role of antineoplastic agent . It has the role of trypanocidal drug . It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . It has the role of GABA-gated chloride channel antagonist . It has the role of angiogenesis inhibitor . It has the role of GABA antagonist . It has the role of ryanodine receptor agonist . It has the role of apoptosis inhibitor . It has the role of purinergic receptor P2 antagonist . It is also related to or classified as organic sodium salt .
The molecule CN1C2=C(C3=C1C(=O)N(N=C3)CC4=C(C=CC=C4Cl)F)SC(=C2)Br CN1C2=C(C3=C1C(=O)N(N=C3)CC4=C(C=CC=C4Cl)F)SC(=C2)Br is 2-bromo-6-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC is 2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)OC)N is 5-amino-N-tert-butyl-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxamide. It is also related to or classified as thienopyrimidine  . It is also related to or classified as pyrimidines .
The molecule CN(C)C[C@@H](NC(=O)N1CC2=C(NN=C2NC2=NC(C)=NC3=C2SC=C3)C1(C)C)C1=CC=CC=C1 CN(C)C[C@@H](NC(=O)N1CC2=C(NN=C2NC2=NC(C)=NC3=C2SC=C3)C1(C)C)C1=CC=CC=C1 is A member of the class of thienopyrimidines that is thieno[3,2-d]pyrimidine substituted by methyl and (5-{[(1S)-2-(dimethylamino)-1-phenylethyl]carbamoyl}-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)amino groups at positions 2 and 4, respectively. It is a potent inhibitor of PAK4 and inhibits the growth of multiple human tumor xenografts. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as thienopyrimidine  . It is also related to or classified as benzenes , pyrrolopyrazole , ureas , secondary amino compound , tertiary amino compound .
The molecule CC1=NC(=CS1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl CC1=NC(=CS1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl is N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)COC(=O)C(C)(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)COC(=O)C(C)(C)C)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)F is 2,2-dimethylpropanoic acid [(2S)-2-[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-12-yl]propyl] ester. It is also related to or classified as lactam  . It is also related to or classified as pivalate ester  . It is also related to or classified as azamacrocycle .
The molecule CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC is carbamic acid [6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=CC2OC(=CC(=O)C2C(O)=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1 COC1=CC2OC(=CC(=O)C2C(O)=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1 is A  flavone C-glycoside that is  isoorientin in which the hydroxy group at position 7 is replaced by a methoxy group. Its functional parent is isoorientin . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as trihydroxyflavone , flavone C-glycoside .
The molecule CNC(=O)C1=C(C=CC=C1F)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCN(C5=C4)C(=O)CN(C)C)OC CNC(=O)C1=C(C=CC=C1F)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCN(C5=C4)C(=O)CN(C)C)OC is 2-[[2-[[1-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CN(CCC1CC2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3 C1CN(CCC1CC2=CC=C(C=C2)F)C3=C4C=CSC4=NC=N3 is 4-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]thieno[2,3-d]pyrimidine. It is also related to or classified as thienopyrimidine  . It is also related to or classified as piperidines .
The molecule CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC is LSM-4258. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC is LSM-4236.  It is also related to or classified as alkaloid  . It is also related to or classified as acetamides , carbotricyclic compound .
The molecule CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O is 1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)-6-thieno[3,2-d]pyrimidinyl]methyl]-1-piperazinyl]-2-hydroxy-1-propanone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3 C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3 is 5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione. It is also related to or classified as organofluorine compound  . It is also related to or classified as halophenol  .
The molecule COC1=CC=CC=C1C=CC(=O)O COC1=CC=CC=C1C=CC(=O)O is 3-(2-methoxyphenyl)-2-propenoic acid. Its functional parent is 4-coumaric acid . It is also related to or classified as hydroxycinnamic acid .
The molecule COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\CO COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\CO is A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It has the role of autophagy inducer . It has the role of antidepressant . It has the role of hepatoprotective agent . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is trans-sinapyl alcohol . It is also related to or classified as primary alcohol  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as dimethoxybenzene , monosaccharide derivative .
The molecule CCC(C)[C@@H](CO[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@H](CS)N CCC(C)[C@@H](CO[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@H](CS)N is (2S)-2-[[(2S)-2-[(2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester. It is also related to or classified as secondary carboxamide  . It is also related to or classified as thiol  . It is also related to or classified as isopropyl ester  . It is also related to or classified as sulfone  .
The molecule CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl is 5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2 C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2 is an N-alkylpiperazine that is butane which is substituted by a 3,5-dioxopiperazin-1-yl group at positions 2 and 3. The meso isomer. It has the role of antineoplastic agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It has the role of apoptosis inducer . It is also related to or classified as N-alkylpiperazine .
The molecule C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)O C1=CC(=C(C=C1C(C(=O)O)N)C(=O)O)O is 5-[amino(carboxy)methyl]-2-hydroxybenzoic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule CCOC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CN=CC=C4 CCOC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CN=CC=C4 is 5-chloro-7-[(4-ethoxyphenyl)-(3-pyridinylamino)methyl]-8-quinolinol.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC is LSM-4295. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC4=CC=CC=C4 C1=CC=C(C=C1)C2=NN(C3=CC=CC=C32)CC(=O)OC4=CC=CC=C4 is 2-(3-phenyl-1-indazolyl)acetic acid phenyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O is octanoic acid [6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methyl-1-oxobut-2-enoxy)-2-oxo-4-(1-oxobutoxy)-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] ester. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CC(=O)O[C@@H]1CC2[C@](C=CC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C CC(=O)O[C@@H]1CC2[C@](C=CC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C is acetic acid [(1R,4bR,5R,10aR,12aR)-1-(3-furanyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydro-1H-naphtho[2,1-f][2]benzopyran-5-yl] ester. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCC(=O)NC1CC2C(C3=C(C(=CC=C3)C)NC2=O)OC1=O CCC(=O)NC1CC2C(C3=C(C(=CC=C3)C)NC2=O)OC1=O is N-(7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl)propanamide. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C is (3S,10R,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule CC(=O)OCC1=C(N2C([C@@H](C2=O)N)SC1)C(=O)O CC(=O)OCC1=C(N2C([C@@H](C2=O)N)SC1)C(=O)O is (7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC(=C(C=C1C(C(=O)O)N)O)C(=O)O C1=CC(=C(C=C1C(C(=O)O)N)O)C(=O)O is 4-[amino(carboxy)methyl]-2-hydroxybenzoic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl is 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)[O-] C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)[O-] is (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol. It is also related to or classified as tertiary amine oxide  . It is also related to or classified as isoquinolines .
The molecule CCOC(=O)CSC1=NC(=O)C(=CC2=CC=C(C=C2)Cl)S1 CCOC(=O)CSC1=NC(=O)C(=CC2=CC=C(C=C2)Cl)S1 is 2-[[5-[(4-chlorophenyl)methylidene]-4-oxo-2-thiazolyl]thio]acetic acid ethyl ester. It is also related to or classified as organochlorine compound  .
The molecule [H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C [H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)C is A trichothecene mycotoxin produced by fungi of the genus Fusarium. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals. It has the role of mycotoxin . It has the role of neurotoxin . It has the role of cardiotoxic agent . It has the role of DNA synthesis inhibitor . It has the role of apoptosis inducer . It has the role of fungal metabolite . It has the role of environmental contaminant . Its functional parent is HT-2 toxin .  It is also related to or classified as acetate ester  . It is also related to or classified as trichothecene  . It is also related to or classified as organic heterotetracyclic compound .
The molecule BrC1C(Br)C(Br)C(Br)C(Br)C1Br BrC1C(Br)C(Br)C(Br)C(Br)C1Br is A bromohydrocarbon that is cyclohexane in which the hydrogen at positions 1,2,3,4,5 and 6 have been replaced by bromo groups. It is a potent inhibitor of JAK2 tyrosine kinase autophosphorylation. It has the role of EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor . It is also related to or classified as bromohydrocarbon , bromoalkane .
The molecule C=CCNC1=NC=NC2=C1C=C(C=C2)Br C=CCNC1=NC=NC2=C1C=C(C=C2)Br is A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy. It has the role of autophagy inducer . It is also related to or classified as organobromine compound  . It is also related to or classified as quinazolines , secondary amino compound .
The molecule CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OC CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)OC is 2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(CC(=O)O)CN CC(CC(=O)O)CN is 4-amino-3-methylbutanoic acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-] is N-[(5-nitro-2-thiophenyl)methylideneamino]-2-pyridinecarboxamide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)C)C CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)C)C is 2-(1,3-dioxo-2-isoindolyl)acetic acid [3-acetyl-2-methyl-1-(4-methylphenyl)-5-indolyl] ester. It is also related to or classified as alpha-amino acid ester  .
The molecule COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3OC)OC)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3OC)OC)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O is 5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one. It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-methoxyisoflavones  .
The molecule [H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 [H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 is tamoxifen citrate. It has the role of anticoronaviral agent . It has the role of angiogenesis inhibitor . It is also related to or classified as citrate salt .
The molecule COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC is 3-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC1=C(C(=CC=C1)C)NC(=O)C2(CCCC2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=NN=N5 CC1=C(C(=CC=C1)C)NC(=O)C2(CCCC2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)N5C=NN=N5 is N-[1-[(2,6-dimethylanilino)-oxomethyl]cyclopentyl]-N-(phenylmethyl)-4-(1-tetrazolyl)benzamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .
The molecule CCC1=C(NC(=S)C(=C1C)C#N)C CCC1=C(NC(=S)C(=C1C)C#N)C is 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCC=CC2=O COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCC=CC2=O is LSM-4526. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule COC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=CC=C3 COC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=CC=C3 is 3,6-dimethoxy-2-phenyl-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule COc1ccc(cc1)-c1oc2c(OC)c(OC)cc(O)c2c(=O)c1O COc1ccc(cc1)-c1oc2c(OC)c(OC)cc(O)c2c(=O)c1O is A member of the class of  flavonols that is  flavonol substituted by an additional hydroxy group at position 5 and methoxy groups at positions 7, 8 and 4' respectively. It has the role of plant metabolite . Its functional parent is flavonol .  It is also related to or classified as flavonols  . It is also related to or classified as trimethoxyflavone , dihydroxyflavone .
The molecule C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC=C(C=C2)C(F)(F)F C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC=C(C=C2)C(F)(F)F is 2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid. It is also related to or classified as dialkylarylamine , tertiary amino compound .
The molecule C1=CC2=C(C=CC(=C2N=C1)NC(=O)CCC(=O)O)Br C1=CC2=C(C=CC(=C2N=C1)NC(=O)CCC(=O)O)Br is 4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid. It is also related to or classified as organohalogen compound  . It is also related to or classified as quinolines .
The molecule CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br is 5-bromo-N-[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule CCOC1=CC=CC=C1C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C CCOC1=CC=CC=C1C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C is 2-ethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester. It is also related to or classified as pyrazoles , ring assembly .
The molecule CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4 CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4 is N-(4-ethoxyphenyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanamide. It is also related to or classified as thienopyrimidine  . It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC(=O)NC1=NC(=NC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=CC=C3 CC(=O)NC1=NC(=NC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=CC=C3 is acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O is 4-[(1,3-dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid. It is also related to or classified as naphthalenes , sulfonic acid derivative .
The molecule COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3)O)OC)S2 COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3)O)OC)S2 is 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-thiazolone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCN(CCC)C1=NC(=NC2=CC=CC=C21)Cl CCCN(CCC)C1=NC(=NC2=CC=CC=C21)Cl is A member of the class of quinazolines that is quinazoline which is substituted by a chloro group and a dipropylnitrilo group at positions 2 and 4, respectively. It is also related to or classified as organochlorine compound  . It is also related to or classified as quinazolines , tertiary amino compound .
The molecule COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC is 6-methoxy-2-(2-methoxyphenyl)-1-benzopyran-4-one. It is also related to or classified as ether  . It is also related to or classified as flavonoids .