Molecule ID: mol19816
SMILES: COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)CO[C@H]3F)c2)cn1
InChI: InChI=1S/C17H17F2N5O3/c1-17(16(19)27-8-13(20)24-17)10-5-9(3-4-11(10)18)23-15(25)12-6-22-14(26-2)7-21-12/h3-7,16H,8H2,1-2H3,(H2,20,24)(H,23,25)/t16-,17-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | OCHEM | 1 » 0 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |