Molecule ID: mol16836
SMILES: Cc1ccccc1-c1nc2cn(-c3cccc(C#N)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1
InChI: InChI=1S/C28H30N6O/c1-19(2)32-13-7-10-22(16-32)17-33-27(24-12-5-4-8-20(24)3)30-25-18-34(31-26(25)28(33)35)23-11-6-9-21(14-23)15-29/h4-6,8-9,11-12,14,18-19,22H,7,10,13,16-17H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | Baltruschat ChEMBL | 1 » 0 |