Name: LIMK-IN-22j
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212008825
Cas No:1116571-01-7
常用名:LIMK-IN-22j
别名:LIMK inhibitor-22j, LIMK inhibitor 22j, LIMK IN 22j
别名:LIMK inhibitor-22j, LIMK inhibitor 22j, LIMK IN 22j
IUPAC:(E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide
IUPAC:(E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide
InChI key:KSECQYDNQYAZMQ-AWEZNQCLSA-N

分子式:C20H21BrN8
分子量:453.348
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:4.265177
SMILES:C[C@H]1CN(CCN1\C(Nc1cccc(Br)c1)=N\C#N)c1ncnc2[nH]cc(C)c12
SMILES:C[C@H]1CN(CCN1\C(Nc1cccc(Br)c1)=N\C#N)c1ncnc2[nH]cc(C)c12

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