Molecule ID: mol20410
SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC
InChI: InChI=1S/C26H32N6O5S/c1-4-36-24-13-18(5-7-23(24)35-3)15-32-11-9-19(10-12-32)28-26-29-21-14-20(6-8-22(21)37-26)30-38(33,34)25-16-31(2)17-27-25/h5-8,13-14,16-17,19,30H,4,9-12,15H2,1-3H3,(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | Baltruschat ChEMBL | 0 » -1 |