Molecule ID: mol21260
SMILES: CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21
InChI: InChI=1S/C24H21N9O2/c1-33-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)27-21(22(33)34)28-24(35)26-17-11-7-10-16(14-17)25-23-29-31-32-30-23/h2-14,21H,1H3,(H2,26,28,35)(H2,25,29,30,31,32)/t21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | OCHEM | 0 » -1 |
| 5.10 | Baltruschat ChEMBL | 0 » -1 |