Molecule ID: mol18784
SMILES: Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1
InChI: InChI=1S/C29H28N6O3/c1-19-15-32-28(33-17-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22)29(37)35(19)18-26(36)31-16-20-12-13-23-25(14-20)38-34-27(23)30/h2-15,24H,16-18H2,1H3,(H2,30,34)(H,31,36)(H,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | OCHEM | 0 » -1 |
| 8.60 | Baltruschat ChEMBL | 0 » -1 |