Molecule ID: mol17994
SMILES: CN(C)C(=O)CN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1
InChI: InChI=1S/C26H29F3N6O2/c1-33(2)24(36)15-35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | Baltruschat ChEMBL | 1 » 0 |