Molecule ID: mol17726
SMILES: COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCC(O)C5)cc4)CC3)o2)cc1
InChI: InChI=1S/C26H30N4O5/c1-33-21-8-4-19(5-9-21)24-27-28-25(35-24)26(32)30-14-11-23(12-15-30)34-22-6-2-18(3-7-22)16-29-13-10-20(31)17-29/h2-9,20,23,31H,10-17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | Baltruschat ChEMBL | 1 » 0 |