Molecule ID: mol16838
SMILES: Cc1ncccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C2COC2)C1
InChI: InChI=1S/C27H27N7O2/c1-18-23(5-2-10-29-18)26-30-24-15-34(21-8-6-19(12-28)7-9-21)31-25(24)27(35)33(26)14-20-4-3-11-32(13-20)22-16-36-17-22/h2,5-10,15,20,22H,3-4,11,13-14,16-17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.40 | Baltruschat ChEMBL | 1 » 0 |