Molecule ID: mol19698
SMILES: COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ccc(F)cc2)c1OC
InChI: InChI=1S/C27H32FN5O4/c1-35-22-17-21-25(24(26(22)36-2)18-4-6-19(28)7-5-18)20(29)16-23(30-21)31-8-3-9-32(11-10-31)27(34)33-12-14-37-15-13-33/h4-7,16-17H,3,8-15H2,1-2H3,(H2,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |