Molecule ID: mol17541
SMILES: COc1cc(F)cc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)c1
InChI: InChI=1S/C22H26FN5O3/c1-30-19-14-17(23)13-18(15-19)28-10-8-27(9-11-28)7-3-2-6-24-22(29)16-4-5-20-21(12-16)26-31-25-20/h4-5,12-15H,2-3,6-11H2,1H3,(H,24,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.34 | Baltruschat ChEMBL | 1 » 0 |