Molecule ID: mol17405
SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CN(C(C)C)C1
InChI: InChI=1S/C24H28ClFN6O2/c1-14(2)32-11-24(12-32,23(27)33)31(3)10-15-8-16-19(9-20(15)34-4)28-13-29-22(16)30-18-7-5-6-17(25)21(18)26/h5-9,13-14H,10-12H2,1-4H3,(H2,27,33)(H,28,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Baltruschat ChEMBL | 1 » 0 |