Molecule ID: mol18795
SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChI: InChI=1S/C23H25N7O2/c1-15-12-27-22(25-10-9-16-5-3-2-4-6-16)23(32)30(15)14-20(31)26-13-17-7-8-19-18(11-17)21(24)29-28-19/h2-8,11-12H,9-10,13-14H2,1H3,(H,25,27)(H,26,31)(H3,24,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | OCHEM | 2 » 1 |
| 3.60 | Baltruschat ChEMBL | 2 » 1 |