Molecule ID: mol18791
SMILES: COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc4c(N)[nH]nc4c3)c2=O)c1
InChI: InChI=1S/C22H22N6O5S/c1-33-15-4-2-5-16(11-15)34(31,32)27-18-6-3-9-28(22(18)30)13-20(29)24-12-14-7-8-17-19(10-14)25-26-21(17)23/h2-11,27H,12-13H2,1H3,(H,24,29)(H3,23,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | Baltruschat ChEMBL | 1 » 0 |