Molecule ID: mol19454
SMILES: CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1-c1ccccc1
InChI: InChI=1S/C29H36N4O3/c1-4-35-25-17-21(18-26(36-5-2)28(25)22-9-7-6-8-10-22)20-33-15-13-24(14-16-33)32-29(34)23-11-12-27(30-3)31-19-23/h6-12,17-19,24H,4-5,13-16,20H2,1-3H3,(H,30,31)(H,32,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Baltruschat ChEMBL | 1 » 0 |