Molecule ID: mol19692
SMILES: COc1cc2nc(N3CCc4c(cccc4NS(C)(=O)=O)C3)nc(N)c2c(-c2ccccn2)c1OC
InChI: InChI=1S/C25H26N6O4S/c1-34-20-13-19-22(21(23(20)35-2)18-8-4-5-11-27-18)24(26)29-25(28-19)31-12-10-16-15(14-31)7-6-9-17(16)30-36(3,32)33/h4-9,11,13,30H,10,12,14H2,1-3H3,(H2,26,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | Baltruschat ChEMBL | 1 » 0 |