Molecule ID: mol18814
SMILES: N[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](N)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1
InChI: InChI=1S/C28H27F4N5O2/c29-23-20(24(30)26(32)37-25(23)31)14-11-17-9-12-19(13-10-17)36-28(39)21(33)8-4-5-15-35-27(38)22(34)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,12-13,21-22H,4-5,8,15-16,33-34H2,(H,35,38)(H,36,39)/t21-,22-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | Baltruschat ChEMBL | 2 » 1 |
| 6.70 | Baltruschat ChEMBL | 2 » 1 |
| 7.30 | Baltruschat ChEMBL | 2 » 1 |