Molecule ID: mol20481
SMILES: COc1cc(N2CC3CNCC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChI: InChI=1S/C24H24ClN7O2/c1-33-21-8-15(31-13-16-9-26-10-17(14-31)34-16)5-6-19(21)29-24-28-11-18(25)23(30-24)20-12-27-22-4-2-3-7-32(20)22/h2-8,11-12,16-17,26H,9-10,13-14H2,1H3,(H,28,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | Baltruschat ChEMBL | 1 » 0 |