Molecule ID: mol17532
SMILES: COc1cccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1
InChI: InChI=1S/C25H31N5O2/c1-32-24-6-4-5-23(19-24)29-17-15-28(16-18-29)13-3-2-11-27-25(31)21-7-9-22(10-8-21)30-14-12-26-20-30/h4-10,12,14,19-20H,2-3,11,13,15-18H2,1H3,(H,27,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.59 | Baltruschat ChEMBL | 1 » 0 |