Molecule ID: mol19810
SMILES: COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C4CC4)N=C(N)CO[C@@H]3F)c2)cn1
InChI: InChI=1S/C19H19F2N5O3/c1-28-16-8-23-14(7-24-16)17(27)25-11-4-5-13(20)12(6-11)19(10-2-3-10)18(21)29-9-15(22)26-19/h4-8,10,18H,2-3,9H2,1H3,(H2,22,26)(H,25,27)/t18-,19+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | OCHEM | 1 » 0 |
| 7.80 | Baltruschat ChEMBL | 1 » 0 |