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E1/E2/E3 Enzyme
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C25-140Cas Number: 1358099-18-9Formula: C26H31N7O Molecular Weight: 457.57IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-oneSMILES: CC1=C(C(=NN1C2=NN3C(=NN=C3C=C2)C)C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5InChIKey: HFKVRXVHZGBRKF-UHFFFAOYSA-NInChI: show moreSynonyms: 1-Propanone,3-[3,5-dimethyl-1-(3-methyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]-1-[4-(phenylmethyl)-1-p...
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CC-92480Cas Number: 2259648-80-9Formula: C32H30FN5O4 Molecular Weight: 567.61IUPAC Name: 4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrileSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)C#N)FInChIKey: YTINZZFBHWSAGL-NDEPHWFRSA-NInChI: show moreSynonyms: BENZONITRILE, 4-(4-((4-(((2-((3S)-2,6-DIOXO-3-PIPERIDINYL)-2,3-DIHYDRO-1-OXO-1H-ISOINDOL-4-YL)OXY)METHYL)PHENYL)METHY...
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CC-92480Cas Number: 2259648-80-9Formula: C32H30FN5O4 Molecular Weight: 567.61IUPAC Name: 4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrileSMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)C#N)FInChIKey: YTINZZFBHWSAGL-NDEPHWFRSA-NInChI: show moreSynonyms: Mezigdomide|CC-92480|2259648-80-9|UNII-LA88IH4O02|Mezigdomide [USAN]|LA88IH4O02|CC92480|WHO 11455|(S)-4-(4-(4-(((2-(2...
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CC 0651Cas Number: 1319207-44-7Formula: C20H21Cl2NO6 Molecular Weight: 442.29IUPAC Name: (2R,3S,4S)-5-[4-(3,5-dichlorophenyl)phenyl]-2,3-dihydroxy-4-[(2-methoxyacetyl)amino]pentanoic acidSMILES: COCC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl)C(C(C(=O)O)O)OInChIKey: NTCBTNCWNRCBGX-YTQUADARSA-NInChI: show moreSynonyms: (2R,3S,4S)-5-[4-(3,5-Dichlorophenyl)phenyl]-2,3-dihydroxy-4-(2-methoxyacetamido)pentanoic acid
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COH000Cas Number: 1534358-79-6Formula: C25H25NO5 Molecular Weight: 419.47IUPAC Name: dimethyl (1R,4S)-1-[(1R)-1-anilino-2-(4-methylphenyl)ethyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylateSMILES: CC1=CC=C(C=C1)CC(C23C=CC(O2)C(=C3C(=O)OC)C(=O)OC)NC4=CC=CC=C4InChIKey: UFPINDDCTUCUSA-DFIYOIEZSA-NInChI: show moreSynonyms: 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid,1-[(1R)-2-(4-methylphenyl)-1-(phenylamino)e...
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DKM 2-93Cas Number: 65836-72-8Formula: C11H14ClNO3 Molecular Weight: 243.69IUPAC Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamideSMILES: COC1=C(C=C(C=C1)CNC(=O)CCl)OCInChIKey: CETPWRGZGWGPSV-UHFFFAOYSA-NInChI: InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)Synonyms: DTXSID40216022 | SCHEMBL20456221 | 2-chloro-N-(3,4-dimethoxybenzyl)acetamide | 2-Chloro-N-(3,4-dimethoxy-benzyl)-acet...
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DKM 2-93Cas Number: 65836-72-8Formula: C11H14ClNO3 Molecular Weight: 243.69IUPAC Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamideSMILES: COC1=C(C=C(C=C1)CNC(=O)CCl)OCInChIKey: CETPWRGZGWGPSV-UHFFFAOYSA-NInChI: InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)Synonyms: 2-chloro-N-(3,4-dimethoxybenzyl)acetamide|65836-72-8|DKM 2-93|2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide|Aceta...
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Siremadlin, Tumour suppressor p53/oncoprotein Mdm2 inhibitorCas Number: 1448867-41-1Formula: C26H24Cl2N6O4 Molecular Weight: 555.41IUPAC Name: (4S)-5-(5-chloro-1-methyl-2-oxopyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-oneSMILES: CC(C)N1C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)C4=CC(=CN(C4=O)C)Cl)N=C1C5=CN=C(N=C5OC)OCInChIKey: AGBSXNCBIWWLHD-FQEVSTJZSA-NInChI: show moreSynonyms: HY-18658 | WHO 10869 | (Benzyloxycarbonyl-methyl-amino)-acetic acid | (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene...
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JNJ-26854165 (Serdemetan)Cas Number: 881202-45-5 Compound CID: 11609586Formula: C21H20N4 Molecular Weight: 328.42IUPAC Name: 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamineSMILES: C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4InChIKey: CEGSUKYESLWKJP-UHFFFAOYSA-NInChI: InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)Synonyms: CCG-264846 | AS-56263 | NCGC00263171-01 | 2-(Furan-2-yl)thiazolidine-4-carboxylicacid | JNJ-26854165 (Serdemetan) | C...
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MI-773 (SAR405838)Cas Number: 1303607-60-4Formula: C29H34Cl2FN3O3 Molecular Weight: 562.5IUPAC Name: show moreSMILES: CC(C)(C)CC1C2(C(C(N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=OInChIKey: IDKAKZRYYDCJDU-AEPXTFJPSA-NInChI: show moreSynonyms: (2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-...
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MI-773 (SAR405838)Cas Number: 1303607-60-4Formula: C29H34Cl2FN3O3 Molecular Weight: 562.5IUPAC Name: show moreSMILES: CC(C)(C)CC1C2(C(C(N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=OInChIKey: IDKAKZRYYDCJDU-AEPXTFJPSA-NInChI: show moreSynonyms: SAR405838|1303607-60-4|MI-77301|SAR-405838|MI-773 (SAR405838)|8570LZ3RCA|CHEMBL2381408|(2'S,3R,4'S,5'R)-6-Chloro-4'-(...
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ML792Cas Number: 1644342-14-2 Compound CID: 86566743Formula: C21H23BrN6O5S Molecular Weight: 551.41IUPAC Name: [(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamateSMILES: C1C(CC(C1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)BrInChIKey: PZCKLTWSXFDLLP-OGWOLHLISA-NInChI: show moreSynonyms: Sulfamic acid,[(1R,2S,4R)-4-[[5-[[1-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]carbonyl]-4-pyrimidinyl]...
