PI3Kα-IN-22
HIT218848712
sdf文件结构编辑类似物检索
HIT ID: HIT218848712
Cas No: 2925030-26-6
分子式: C24H23F2N5O3
分子量: 467.477
常用名: PI3Kα-IN-22
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{[(1R)-1-[3-cyano-2-(4,4-difluoropiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid
IUPAC: 2-{[(1R)-1-[3-cyano-2-(4,4-difluoropiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino}benzoic acid
SMILES: C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(N1CCC(F)(F)CC1)c(C#N)c2=O
SMILES: C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(N1CCC(F)(F)CC1)c(C#N)c2=O
InChI key: OIVDIJHGKFXNJF-OAHLLOKOSA-N
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