HIT ID: HIT218701082

Cas No: 1257051-06-1

分子式: C45H50ClN7O7S

分子量: 876.5

常用名: 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl)-N-{3-nitro-4-[(oxan-4-ylmethyl)amino]benzenesulfonyl}-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide, Venetoclax-d8, 维奈妥拉-d8

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl)-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide

SMILES: [2H]C1([2H])N(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])N(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)C1([2H])[2H]

InChI key: LQBVNQSMGBZMKD-JYSKPPGCSA-N