Molecule ID: mol20603
SMILES: COc1cccc(S(=O)(=O)NN2CCC(C)=C(CC(=O)NCc3ccc(C(=N)N)cc3)C2=O)c1
InChI: InChI=1S/C23H27N5O5S/c1-15-10-11-28(27-34(31,32)19-5-3-4-18(12-19)33-2)23(30)20(15)13-21(29)26-14-16-6-8-17(9-7-16)22(24)25/h3-9,12,27H,10-11,13-14H2,1-2H3,(H3,24,25)(H,26,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Baltruschat ChEMBL | 1 » 0 |