Molecule ID: mol18541
SMILES: C[C@@H]1CN(Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)Nc1cccnc1
InChI: InChI=1S/C23H24FN5O/c1-16-14-28(15-18-7-4-3-5-8-18)21-13-26-12-20(24)22(21)17(2)29(16)23(30)27-19-9-6-10-25-11-19/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)/t16-,17+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Baltruschat ChEMBL | 1 » 0 |