General Information of the Compound
Compound ID
CP0511656
Compound Name
3-[5-(3,4-Dimethoxy-phenyl)-1H-imidazol-2-yl]-pyridine
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Structure
Formula
C16H15N3O2
Molecular Weight
281.315
Canonical SMILES
COc1ccc(cc1OC)-c1c[nH]c(n1)-c1cccnc1
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InChI
InChI=1S/C16H15N3O2/c1-20-14-6-5-11(8-15(14)21-2)13-10-18-16(19-13)12-4-3-7-17-9-12/h3-10H,1-2H3,(H,18,19)
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InChIKey
OQCOOMNGLOIACC-UHFFFAOYSA-N
Physicochemical Property
logP
3.1559
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
60.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 44345940
ChEMBL ID
CHEMBL122120
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 = 148 nM
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