Molecule ID: mol18772
SMILES: Cc1cnc(NCC2(c3ccccn3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1
InChI: InChI=1S/C24H25N7O3/c1-15-11-28-22(29-14-24(7-8-24)19-4-2-3-9-26-19)23(33)31(15)13-20(32)27-12-16-5-6-17-18(10-16)34-30-21(17)25/h2-6,9-11H,7-8,12-14H2,1H3,(H2,25,30)(H,27,32)(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | OCHEM | 1 » 0 |
| 8.60 | Baltruschat ChEMBL | 1 » 0 |