Molecule ID: mol19822
SMILES: CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChI: InChI=1S/C25H25ClFN5O3/c1-15(2)31-13-18(19(14-31)25(35)30-22-9-6-16(26)12-28-22)24(34)29-21-8-7-17(11-20(21)27)32-10-4-3-5-23(32)33/h3-12,15,18-19H,13-14H2,1-2H3,(H,29,34)(H,28,30,35)/t18-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | Baltruschat ChEMBL | 1 » 0 |