Molecule ID: mol18782
SMILES: Cc1cnc(NCC2(c3ccccc3)CCC2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(O)c2c1
InChI: InChI=1S/C26H28N6O3/c1-17-13-28-23(29-16-26(10-5-11-26)19-6-3-2-4-7-19)25(35)32(17)15-22(33)27-14-18-8-9-21-20(12-18)24(34)31-30-21/h2-4,6-9,12-13H,5,10-11,14-16H2,1H3,(H,27,33)(H,28,29)(H2,30,31,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | OCHEM | 1 » 0 |
| 6.30 | Baltruschat ChEMBL | 1 » 0 |