Molecule ID: mol19333
SMILES: CC1CCN(C(=O)[C@H](CCCNc2ccccn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
InChI: InChI=1S/C26H32N4O3S/c1-20-13-17-30(18-14-20)26(31)24(9-6-16-28-25-10-4-5-15-27-25)29-34(32,33)23-12-11-21-7-2-3-8-22(21)19-23/h2-5,7-8,10-12,15,19-20,24,29H,6,9,13-14,16-18H2,1H3,(H,27,28)/t24-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | Baltruschat ChEMBL | 1 » 0 |