General Information of the Compound
| Compound ID |
CP0531912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-Disubstituted Pyrazine, 31
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O4
|
||||||||||||||||||
| Molecular Weight |
407.47
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2cncc(Oc3cccc4CCCCc34)n2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O4/c1-27-19-11-16(12-20(28-2)23(19)29-3)25-21-13-24-14-22(26-21)30-18-10-6-8-15-7-4-5-9-17(15)18/h6,8,10-14H,4-5,7,9H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKMLAPDVSPCPSJ-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