Molecule ID: mol21263
SMILES: Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1
InChI: InChI=1S/C26H25N9O2/c1-16-13-14-18(15-21(16)35(3)25-30-32-33-31-25)27-26(37)29-23-24(36)34(2)20-12-8-7-11-19(20)22(28-23)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | OCHEM | 0 » -1 |
| 5.70 | Baltruschat ChEMBL | 0 » -1 |