Molecule ID: mol20150
SMILES: COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@H](OC)C3)c2c1
InChI: InChI=1S/C25H30N6O5/c1-34-17-4-5-18-20(11-17)31(24(33)13-27-18)10-9-30-8-7-19(22(14-30)35-2)26-12-16-3-6-21-25(28-16)29-23(32)15-36-21/h3-6,11,13,19,22,26H,7-10,12,14-15H2,1-2H3,(H,28,29,32)/t19-,22-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.45 | OCHEM | 1 » 0 |
| 7.45 | Baltruschat ChEMBL | 1 » 0 |