Molecule ID: mol20885
SMILES: Cc1cc2c(c(-c3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)c1)C(Nc1ccc(C3CCN(C(=O)C4CC4)CC3)cc1C)CC2
InChI: InChI=1S/C36H36F3N5O3/c1-20-16-25-9-11-30(41-28-10-8-24(18-21(28)2)22-12-14-43(15-13-22)34(45)23-6-7-23)32(25)26(17-20)29-4-3-5-31(42-29)44-33(36(37,38)39)27(19-40-44)35(46)47/h3-5,8,10,16-19,22-23,30,41H,6-7,9,11-15H2,1-2H3,(H,46,47)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | Baltruschat ChEMBL | 3 » 2 |