Molecule ID: mol17400
SMILES: CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)NC3CCNCC3)c2cn1
InChI: InChI=1S/C25H30N6O3/c1-3-27-24(32)31-23-13-21-20(17-6-11-28-16(2)12-17)5-4-18(22(21)14-29-23)15-34-25(33)30-19-7-9-26-10-8-19/h4-6,11-14,19,26H,3,7-10,15H2,1-2H3,(H,30,33)(H2,27,29,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | Baltruschat ChEMBL | 1 » 0 |