HIT218638923 - 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[3-nitro-4-({[(1r,4r)-4-methoxycyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide, A-1211212

sdf文件结构编辑类似物检索

HIT ID: HIT218638923

Cas No: 1257044-75-9

分子式: C47H54ClN7O7S

分子量: 896.5

常用名: 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[3-nitro-4-({[(1r,4r)-4-methoxycyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide, A-1211212

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}piperazin-1-yl)-N-[3-nitro-4-({[(1r,4r)-4-methoxycyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide

SMILES: CO[C@H]1CC[C@H](CNc2ccc(cc2N(=O)=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1

InChI key: CSBKUBOVPUXFLO-MAVVKCOWSA-N