General Information of the Compound
| Compound ID |
CP0423721
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(imidazol-1-ylmethyl)pyridin-2-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N4
|
||||||||||||||||||
| Molecular Weight |
260.3
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(cc1)-c1ccc(Cn2ccnc2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N4/c17-9-13-1-4-15(5-2-13)16-6-3-14(10-19-16)11-20-8-7-18-12-20/h1-8,10,12H,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKZNGSVGQIKFBV-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial