Name: Imatinib-d8
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671496
Cas No:1092942-82-9
常用名:Imatinib-d8
IUPAC:4-{[4-methyl(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]methyl}-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
IUPAC:4-{[4-methyl(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]methyl}-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
InChI key:KTUFNOKKBVMGRW-AZGHYOHESA-N

分子式:C29H31N7O
分子量:501.664
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:4.377673
SMILES:[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)C1([2H])[2H]
SMILES:[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)C1([2H])[2H]

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