(3S,4S)-PF-06459988
HIT214322853
sdf文件结构编辑类似物检索
HIT ID: HIT214322853
Cas No: 1858291-14-1
分子式: C19H22ClN7O3
分子量: 431.88
常用名: (3S,4S)-PF-06459988
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(3S,4S)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
IUPAC: 1-[(3S,4S)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
SMILES: CO[C@@H]1CN(C[C@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C
SMILES: CO[C@@H]1CN(C[C@H]1COc1nc(Nc2cnn(C)c2)nc2[nH]cc(Cl)c12)C(=O)C=C
InChI key: ODMXWZROLKITMS-SMDDNHRTSA-N
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