Molecule ID: mol18780
SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]cnc2c1
InChI: InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)14-21(30)25-13-18-7-8-19-20(11-18)28-15-27-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | OCHEM | 1 » 0 |
| 5.80 | Baltruschat ChEMBL | 1 » 0 |