Name: CG-3-246
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219250737
Cas No:
常用名:CG-3-246
IUPAC:3-({4-[4-(2-{[4-({[4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}phenyl]formamido}sulfonyl)-2-nitrophenyl]amino}acetyl)piperazin-1-yl]-3-methoxyphenyl}amino)-6-ethyl-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide
IUPAC:3-({4-[4-(2-{[4-({[4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}phenyl]formamido}sulfonyl)-2-nitrophenyl]amino}acetyl)piperazin-1-yl]-3-methoxyphenyl}amino)-6-ethyl-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide
InChI key:XKXKLLHVPVBOFG-UHFFFAOYSA-N

分子式:C64H73ClN14O10S
分子量:1265.89
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(=O)CNc3ccc(cc3[N+]([O-])=O)S(=O)(=O)NC(=O)c3ccc(cc3Oc3cnc4[nH]ccc4c3)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)c(OC)c2)nc1NC1CCOCC1
SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(=O)CNc3ccc(cc3[N+]([O-])=O)S(=O)(=O)NC(=O)c3ccc(cc3Oc3cnc4[nH]ccc4c3)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)c(OC)c2)nc1NC1CCOCC1

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