Molecule ID: mol20147
SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(-n3cccn3)c2)CC1
InChI: InChI=1S/C24H26F2N4O2/c1-16(31)29-22(12-17-10-19(25)14-20(26)11-17)23(32)15-27-24(6-7-24)18-4-2-5-21(13-18)30-9-3-8-28-30/h2-5,8-11,13-14,22-23,27,32H,6-7,12,15H2,1H3,(H,29,31)/t22-,23+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | Baltruschat ChEMBL | 1 » 0 |