Molecule ID: mol19833
SMILES: COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1
InChI: InChI=1S/C20H23N7O2/c1-12-8-13(2)27(25-12)20-23-17(9-18(24-20)21-14(3)28)16-6-5-7-19(22-16)26-10-15(11-26)29-4/h5-9,15H,10-11H2,1-4H3,(H,21,23,24,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Baltruschat ChEMBL | 1 » 0 |