PF-4181366
HIT212717649
sdf文件结构编辑类似物检索
HIT ID: HIT212717649
Cas No: 1082743-32-5
分子式: C24H27N7O
分子量: 429.528
常用名: PF-4181366
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 1.8957127
IUPAC: 1-cyclopentyl-6-[(3S,4S)-4-methyl-1-[(quinoxalin-6-yl)methyl]pyrrolidin-3-yl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
IUPAC: 1-cyclopentyl-6-[(3S,4S)-4-methyl-1-[(quinoxalin-6-yl)methyl]pyrrolidin-3-yl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
SMILES: C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
InChI key: SNCRCEGCQVMUBS-DNVCBOLYSA-N
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