Name: Asaretoclax
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929592
Cas No:2363074-01-3
常用名:Asaretoclax
IUPAC:4-[4-({2-[3-(difluoromethyl)bicyclo[1.1.1]pentan-1-yl]-4,4-dimethylcyclohex-1-en-1-yl}methyl)piperazin-1-yl]-N-[3-nitro-4-({[(1r,4r)-4-hydroxy-4-methylcyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
IUPAC:4-[4-({2-[3-(difluoromethyl)bicyclo[1.1.1]pentan-1-yl]-4,4-dimethylcyclohex-1-en-1-yl}methyl)piperazin-1-yl]-N-[3-nitro-4-({[(1r,4r)-4-hydroxy-4-methylcyclohexyl]methyl}amino)benzenesulfonyl]-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
InChI key:DREKSGOBSPWACW-MNMGTKACSA-N

分子式:C47H57F2N7O7S
分子量:902.07
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F
SMILES:CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F

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