Molecule ID: mol17747
SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC6(CCCO6)C5)cc4)C3)o2)cc1
InChI: InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)30-14-22(15-30)34-21-7-3-18(4-8-21)13-29-16-26(17-29)11-2-12-33-26/h3-10,22H,2,11-17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | Baltruschat ChEMBL | 1 » 0 |