Molecule ID: mol19836
SMILES: COc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1
InChI: InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | Baltruschat ChEMBL | 1 » 0 |