Name: PI3K-IN-50
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848719
Cas No:3023536-43-5
常用名:PI3K-IN-50
IUPAC:2-{[(1R)-1-{6-fluoro-3-methyl-4-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,4-dihydroquinazolin-8-yl}ethyl]amino}benzoic acid
IUPAC:2-{[(1R)-1-{6-fluoro-3-methyl-4-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,4-dihydroquinazolin-8-yl}ethyl]amino}benzoic acid
InChI key:ZKRCARIVJPXKRW-CQSZACIVSA-N

分子式:C24H25F4N5O3
分子量:507.49
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](Nc1ccccc1C(O)=O)c1cc(F)cc2c1nc(N1CCN(CC(F)(F)F)CC1)n(C)c2=O
SMILES:C[C@@H](Nc1ccccc1C(O)=O)c1cc(F)cc2c1nc(N1CCN(CC(F)(F)F)CC1)n(C)c2=O

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