Molecule ID: mol18394
SMILES: O=C(CN1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1)NC(c1ccc(F)cc1)c1ccc(F)cc1
InChI: InChI=1S/C30H28F5N5O/c31-25-6-1-22(2-7-25)29(23-3-8-26(32)9-4-23)37-28(41)20-39-15-13-38(14-16-39)18-21-11-12-40(19-21)27-10-5-24(17-36-27)30(33,34)35/h1-12,17,19,29H,13-16,18,20H2,(H,37,41)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.50 | Baltruschat ChEMBL | 1 » 0 |