General Information of the Compound
Compound ID
CP0441405
Compound Name
3-[5-(3-Methoxy-phenyl)-1H-imidazol-2-yl]-pyridine
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Structure
Formula
C15H13N3O
Molecular Weight
251.289
Canonical SMILES
COc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
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InChI
InChI=1S/C15H13N3O/c1-19-13-6-2-4-11(8-13)14-10-17-15(18-14)12-5-3-7-16-9-12/h2-10H,1H3,(H,17,18)
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InChIKey
WVEHTLXKAPWDJX-UHFFFAOYSA-N
Physicochemical Property
logP
3.1473
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 44345802
ChEMBL ID
CHEMBL422608
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 = 56 nM
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