HIT ID: HIT212033851
Cas No: 1092939-17-7
分子式: C17H21N6O4P
分子量: 404.367
常用名: Ruxolitinib phosphate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 2.4793217
IUPAC: (3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; phosphoric acid
IUPAC: (3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; phosphoric acid
SMILES: OP(O)(O)=O.N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
SMILES: OP(O)(O)=O.N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
InChI key: JFMWPOCYMYGEDM-XFULWGLBSA-N
