Molecule ID: mol19452
SMILES: CCOc1cc(CN2CCC(NC(=O)c3ccc(N)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1
InChI: InChI=1S/C28H33FN4O3/c1-3-35-24-15-19(16-25(36-4-2)27(24)20-5-8-22(29)9-6-20)18-33-13-11-23(12-14-33)32-28(34)21-7-10-26(30)31-17-21/h5-10,15-17,23H,3-4,11-14,18H2,1-2H3,(H2,30,31)(H,32,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.86 | Baltruschat ChEMBL | 1 » 0 |