Molecule ID: mol21375
SMILES: Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc3nc(N)nc(N)c3c2)n1
InChI: InChI=1S/C25H22N8O3S/c1-14-12-21(33(32-14)17-10-11-20-19(13-17)23(26)31-25(27)30-20)24(34)29-16-8-6-15(7-9-16)18-4-2-3-5-22(18)37(28,35)36/h2-13H,1H3,(H,29,34)(H2,28,35,36)(H4,26,27,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | OCHEM | 1 » 0 |
| 8.10 | Baltruschat ChEMBL | 1 » 0 |