General Information of the Compound
Compound ID
CP0526743
Compound Name
3-(5-Cyclohexyl-1H-imidazol-2-yl)-pyridine
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Structure
Formula
C14H17N3
Molecular Weight
227.311
Canonical SMILES
C1CCC(CC1)c1c[nH]c(n1)-c1cccnc1
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InChI
InChI=1S/C14H17N3/c1-2-5-11(6-3-1)13-10-16-14(17-13)12-7-4-8-15-9-12/h4,7-11H,1-3,5-6H2,(H,16,17)
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InChIKey
HSNIPLAHMYNOOH-UHFFFAOYSA-N
Physicochemical Property
logP
3.5194
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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).

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PubChem ID
CID: 44345719
ChEMBL ID
CHEMBL332381
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 231 nM
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