Molecule ID: mol19076
SMILES: CC(=O)N1CCN(CCCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1
InChI: InChI=1S/C26H28N6O2/c1-18(33)32-11-9-31(10-12-32)8-2-3-13-34-22-7-5-19-14-24-25(29-30-26(24)23(19)15-22)20-4-6-21(16-27)28-17-20/h4-7,15,17H,2-3,8-14H2,1H3,(H,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | Baltruschat ChEMBL | 1 » 0 |