HIT ID: HIT212651243
Cas No: 941685-37-6
分子式: C17H18N6
分子量: 306.373
常用名: Ruxolitinib (S enantiomer)
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 2.4793217
IUPAC: (3S)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile
IUPAC: (3S)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile
SMILES: N#CC[C@@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
SMILES: N#CC[C@@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
InChI key: HFNKQEVNSGCOJV-HNNXBMFYSA-N
