Molecule ID: mol21127
SMILES: CO[C@H]1CN(c2nc(-c3ncccn3)c(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl
InChI: InChI=1S/C20H20Cl2N6O4S/c1-9-12(21)13(22)14(25-9)18(29)26-10-4-7-28(8-11(10)32-2)20-27-15(16(33-20)19(30)31)17-23-5-3-6-24-17/h3,5-6,10-11,25H,4,7-8H2,1-2H3,(H,26,29)(H,30,31)/t10-,11+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Baltruschat ChEMBL | 0 » -1 |