Molecule ID: mol18542
SMILES: CC(C)CCN1C[C@@H](C)N(C(=O)Nc2cccnc2)[C@@H](C)c2ccncc21
InChI: InChI=1S/C21H29N5O/c1-15(2)8-11-25-14-16(3)26(17(4)19-7-10-23-13-20(19)25)21(27)24-18-6-5-9-22-12-18/h5-7,9-10,12-13,15-17H,8,11,14H2,1-4H3,(H,24,27)/t16-,17+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Baltruschat ChEMBL | 2 » 1 |