Molecule ID: mol19447
SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-n1ccnc1
InChI: InChI=1S/C26H33N5O3/c1-4-33-23-13-20(14-24(34-5-2)25(23)31-11-8-27-18-31)17-30-9-6-22(7-10-30)29-26(32)21-12-19(3)15-28-16-21/h8,11-16,18,22H,4-7,9-10,17H2,1-3H3,(H,29,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.34 | Baltruschat ChEMBL | 1 » 0 |