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
HIT218638923
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
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
19801-3天97.52% 购物车
Mcule
SC
124844-5周 购物车
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