Molecule ID: mol20606
SMILES: COc1cc(C)ccc1S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O
InChI: InChI=1S/C24H27N5O5S/c1-15-4-9-21(20(12-15)34-3)35(32,33)28-29-11-10-16(2)19(24(29)31)13-22(30)27-14-17-5-7-18(8-6-17)23(25)26/h4-12,28H,13-14H2,1-3H3,(H3,25,26)(H,27,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | Baltruschat ChEMBL | 1 » 0 |