Molecule ID: mol19458
SMILES: CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1
InChI: InChI=1S/C29H35FN4O3/c1-4-36-25-16-20(17-26(37-5-2)28(25)21-6-9-23(30)10-7-21)19-34-14-12-24(13-15-34)33-29(35)22-8-11-27(31-3)32-18-22/h6-11,16-18,24H,4-5,12-15,19H2,1-3H3,(H,31,32)(H,33,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.86 | Baltruschat ChEMBL | 1 » 0 |