Molecule ID: mol19677
SMILES: COc1c(C)cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)nc1C
InChI: InChI=1S/C26H22FN5O/c1-15-10-22(31-16(2)24(15)33-3)26(20-8-5-9-21(27)23(20)25(28)32-26)19-7-4-6-17(11-19)18-12-29-14-30-13-18/h4-14H,1-3H3,(H2,28,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | Baltruschat ChEMBL | 1 » 0 |