Molecule ID: mol17996
SMILES: Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(Cc5ncco5)CC4)c(C(F)(F)F)c3)cc21
InChI: InChI=1S/C26H25F3N6O2/c1-34-16-32-25-21(14-30)33-20(13-22(25)34)18-2-3-23(19(12-18)26(27,28)29)36-10-6-17-4-8-35(9-5-17)15-24-31-7-11-37-24/h2-3,7,11-13,16-17H,4-6,8-10,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | OCHEM | 1 » 0 |
| 6.30 | Baltruschat ChEMBL | 1 » 0 |