Molecule ID: mol16332
SMILES: COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(N)=O)c3ccccc3)c2=O)c1F
InChI: InChI=1S/C31H29F5N4O4/c1-44-26-13-5-10-20(28(26)33)21-16-39(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)40(29(21)42)18-25(19-8-3-2-4-9-19)38-15-7-14-27(37)41/h2-6,8-13,16,25,38H,7,14-15,17-18H2,1H3,(H2,37,41)/t25-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | Baltruschat ChEMBL | 1 » 0 |