Molecule ID: mol20324
SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1
InChI: InChI=1S/C20H23N7O2/c1-14-9-26-19(22-8-7-15-5-3-2-4-6-15)20(29)27(14)13-18(28)25-11-16-10-24-17(21)12-23-16/h2-6,9-10,12H,7-8,11,13H2,1H3,(H2,21,24)(H,22,26)(H,25,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | Baltruschat ChEMBL | 2 » 1 |