General Information of the Compound
| Compound ID |
CP0524319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-Disubstituted Pyrazine, 62
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N3O4
|
||||||||||||||||||
| Molecular Weight |
429.476
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2cncc(Oc3ccccc3-c3ccccc3)n2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N3O4/c1-29-21-13-18(14-22(30-2)25(21)31-3)27-23-15-26-16-24(28-23)32-20-12-8-7-11-19(20)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OECAUKNWGCZXRA-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound