Molecule ID: mol19338
SMILES: CC1CCN(C(=O)[C@H](CCCNc2cccnn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
InChI: InChI=1S/C25H31N5O3S/c1-19-12-16-30(17-13-19)25(31)23(8-4-14-26-24-9-5-15-27-28-24)29-34(32,33)22-11-10-20-6-2-3-7-21(20)18-22/h2-3,5-7,9-11,15,18-19,23,29H,4,8,12-14,16-17H2,1H3,(H,26,28)/t23-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Baltruschat ChEMBL | 1 » 0 |