- Pyrimidine derivatives as JAK-2 inhibitors in combination with other agents and their preparation and use in the treatment of diseases, World Intellectual Property Organization, , ,
MDL | MFCD26954818 |
---|---|
InChIKey | ISOCDPQFIXDIMS-QHCPKHFHSA-N |
Inchi | 1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1 |
SMILES | N(C1C=CC(N2CCOCC2)=CC=1)C1N=CC=C(C2C=CC(NC([C@H]3NCCC3)=O)=CC=2)N=1 |
溶解度 | 几乎不溶 (0.031 g/L) (25 ºC), |
---|---|
密度 | 1.290±0.06 g/cm3 (20 ºC 760 Torr), |
氢键供体数量 | 3 |
---|---|
氢键受体数量 | 7 |
可旋转化学键数量 | 6 |
重原子数量 | 33 |
复杂度 | 614 |
拓扑分子极性表面积 | 91.4 |