General Information of the Compound
| Compound ID |
CP0085252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-ethyl-5-(6-phenylpyridin-3-yl)-1,2,4-triazol-4-yl]-2-methylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19N5
|
||||||||||||||||||
| Molecular Weight |
365.44
|
||||||||||||||||||
| Canonical SMILES |
CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAAWESBJYLHFAS-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