Mcl1-IN-12
HIT212673228
sdf文件结构编辑类似物检索
HIT ID: HIT212673228
Cas No: 2042211-12-9
分子式: C45H46N4O6S2
分子量: 803.01
常用名: Mcl1-IN-12
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 11.056667
IUPAC: N-(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonyl)-4-{4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzamido}benzamide
IUPAC: N-(3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonyl)-4-{4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzamido}benzamide
SMILES: Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
SMILES: Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc3ccccc3)c(c1)[N+]([O-])=O)C(C)(C)CCC2(C)C
InChI key: PVBCFXWUROOQLS-UHFFFAOYSA-N
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