Molecule ID: mol17997
SMILES: Cc1nnc(CN2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C(F)(F)F)CC2)o1
InChI: InChI=1S/C26H26F3N7O2/c1-16-33-34-24(38-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | Baltruschat ChEMBL | 1 » 0 |