Molecule ID: mol20163
SMILES: N#Cc1ccc2ccc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](F)C3)c2c1
InChI: InChI=1S/C25H25FN6O3/c26-19-14-31(9-10-32-21-11-16(12-27)1-2-17(21)3-6-24(32)34)8-7-20(19)28-13-18-4-5-22-25(29-18)30-23(33)15-35-22/h1-6,11,19-20,28H,7-10,13-15H2,(H,29,30,33)/t19-,20+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.28 | OCHEM | 1 » 0 |
| 7.28 | Baltruschat ChEMBL | 1 » 0 |