Name: CDK7-IN-17
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214433481
Cas No:2765676-60-4
常用名:CDK7-IN-17
别名:CDK7 抑制剂-17
IUPAC:3-(2-{[(2S,3aR,5S,6aS)-5-amino-octahydropentalen-2-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)-7-(dimethylphosphoryl)-1H-indole-6-carbonitrile
IUPAC:3-(2-{[(2S,3aR,5S,6aS)-5-amino-octahydropentalen-2-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)-7-(dimethylphosphoryl)-1H-indole-6-carbonitrile
InChI key:DETYPENTJDFBFF-SYMSYNOKSA-N

分子式:C24H26F3N6OP
分子量:502.482
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](N)C[C@]1([H])C[C@H](C2)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F
SMILES:[H][C@@]12C[C@@H](N)C[C@]1([H])C[C@H](C2)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F

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