Deuruxolitinib
HIT219201211
sdf文件结构编辑类似物检索
HIT ID: HIT219201211
Cas No: 1513883-39-0
分子式: C17H18N6
分子量: 314.422
常用名: Deuruxolitinib
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3R)-3-[(2,2,3,3,4,4,5,5-2H8)cyclopentyl]-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile
IUPAC: (3R)-3-[(2,2,3,3,4,4,5,5-2H8)cyclopentyl]-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile
SMILES: [2H]C1([2H])C([C@@H](CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
SMILES: [2H]C1([2H])C([C@@H](CC#N)n2cc(cn2)-c2ncnc3[nH]ccc23)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI key: HFNKQEVNSGCOJV-FBXGHSCESA-N
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