Molecule ID: mol17528
SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1
InChI: InChI=1S/C25H31N5O2/c1-32-24-7-3-2-6-23(24)29-18-16-28(17-19-29)14-5-4-12-27-25(31)21-8-10-22(11-9-21)30-15-13-26-20-30/h2-3,6-11,13,15,20H,4-5,12,14,16-19H2,1H3,(H,27,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | Baltruschat ChEMBL | 1 » 0 |