Name: PI3K/HDAC-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666498
Cas No:2361418-52-0
常用名:PI3K/HDAC-IN-1
IUPAC:7-{[6-(5-fluoro-6-methoxypyridin-3-yl)-4-methylquinazolin-8-yl]oxy}-N-hydroxyheptanamide
IUPAC:7-{[6-(5-fluoro-6-methoxypyridin-3-yl)-4-methylquinazolin-8-yl]oxy}-N-hydroxyheptanamide
InChI key:BQKQDMVFQZHPJZ-UHFFFAOYSA-N

分子式:C22H25FN4O4
分子量:428.464
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:2.9350414
SMILES:COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1
SMILES:COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1

PI3K/HDAC-IN-1 is a potent PI3K and HDAC dual inhibitor(IC50s of 8.1 nM and 1.4 nM, respectively).

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