Molecule ID: mol19339
SMILES: COc1ccc2ccc(S(=O)(=O)N[C@@H](CCCNc3ccccn3)C(=O)N3CCC(C)CC3)cc2c1
InChI: InChI=1S/C27H34N4O4S/c1-20-12-16-31(17-13-20)27(32)25(6-5-15-29-26-7-3-4-14-28-26)30-36(33,34)24-11-9-21-8-10-23(35-2)18-22(21)19-24/h3-4,7-11,14,18-20,25,30H,5-6,12-13,15-17H2,1-2H3,(H,28,29)/t25-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | Baltruschat ChEMBL | 1 » 0 |