Name: ABBV-167
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322421
Cas No:1351456-78-4
常用名:ABBV-167
IUPAC:({5-[5-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)carbamoyl]phenoxy]-7H-pyrrolo[2,3-b]pyridin-7-yl}methoxy)phosphonic acid
IUPAC:({5-[5-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)carbamoyl]phenoxy]-7H-pyrrolo[2,3-b]pyridin-7-yl}methoxy)phosphonic acid
InChI key:CLQLTQZFOGFNCT-UHFFFAOYSA-N

分子式:C46H53ClN7O11PS
分子量:978.45
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(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cn(COP(O)(O)=O)c4nccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63|
SMILES:CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cn(COP(O)(O)=O)c4nccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:63|

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