Molecule ID: mol19987
SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cnn(CC(C)(C)C)c2)CC1
InChI: InChI=1S/C23H32F2N4O2/c1-15(30)28-20(9-16-7-18(24)10-19(25)8-16)21(31)12-26-23(5-6-23)17-11-27-29(13-17)14-22(2,3)4/h7-8,10-11,13,20-21,26,31H,5-6,9,12,14H2,1-4H3,(H,28,30)/t20-,21+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |
| 7.10 | Baltruschat ChEMBL | 1 » 0 |