(3S,4R)-Tofacitinib
HIT212033933
sdf文件结构编辑类似物检索
HIT ID: HIT212033933
Cas No: 1092578-48-7
分子式: C16H20N6O
分子量: 312.377
常用名: (3S,4R)-Tofacitinib
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 1.0524687
IUPAC: 3-[(3S,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
IUPAC: 3-[(3S,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
SMILES: C[C@@H]1CCN(C[C@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
SMILES: C[C@@H]1CCN(C[C@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
InChI key: UJLAWZDWDVHWOW-DGCLKSJQSA-N
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