Molecule ID: mol17741
SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)CC5(C)COC5)cc4)C3)o2)cc1
InChI: InChI=1S/C26H30N4O5/c1-26(16-33-17-26)15-29(2)12-18-4-8-21(9-5-18)34-22-13-30(14-22)25(31)24-28-27-23(35-24)19-6-10-20(32-3)11-7-19/h4-11,22H,12-17H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Baltruschat ChEMBL | 1 » 0 |