Molecule ID: mol17398
SMILES: CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)N3CCN(C)CC3)c2cn1
InChI: InChI=1S/C25H30N6O3/c1-4-26-24(32)29-23-14-21-20(18-7-8-27-17(2)13-18)6-5-19(22(21)15-28-23)16-34-25(33)31-11-9-30(3)10-12-31/h5-8,13-15H,4,9-12,16H2,1-3H3,(H2,26,28,29,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |