Molecule ID: mol20315
SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CN=C(N)NC1
InChI: InChI=1S/C20H27N7O2/c1-14-9-24-18(22-8-7-15-5-3-2-4-6-15)19(29)27(14)13-17(28)23-10-16-11-25-20(21)26-12-16/h2-6,9,16H,7-8,10-13H2,1H3,(H,22,24)(H,23,28)(H3,21,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.00 | Baltruschat ChEMBL | -1 » -2 |