Name: AKT-IN-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212686841
Cas No:1295514-91-8
常用名:AKT-IN-2
IUPAC:(5R)-5-methyl-4-(4-{1-[2-(pyrrolidin-1-yl)ethyl]-4-(3,3,3-trifluoropropyl)-1H-imidazol-2-yl}piperidin-1-yl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC:(5R)-5-methyl-4-(4-{1-[2-(pyrrolidin-1-yl)ethyl]-4-(3,3,3-trifluoropropyl)-1H-imidazol-2-yl}piperidin-1-yl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one
InChI key:QRULDXBXPXGMQS-QGZVFWFLSA-N

分子式:C25H34F3N7O
分子量:505.59
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:3.5661378
SMILES:C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(CCC(F)(F)F)cn3CCN3CCCC3)c12
SMILES:C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(CCC(F)(F)F)cn3CCN3CCCC3)c12

AKT-IN-2 is a selective, and orally bioavailable AKT inhibitor (IC50: 5 nM for AKT1).

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