General Information of the Compound
Compound ID
CP0428238
Compound Name
1-(6-chloropyridin-3-yl)-2-(2-phenylphenoxy)ethanone
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Structure
Formula
C19H14ClNO2
Molecular Weight
323.779
Canonical SMILES
Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccc1
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InChI
InChI=1S/C19H14ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-12H,13H2
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InChIKey
GHCVXKMOSYUWTO-UHFFFAOYSA-N
Physicochemical Property
logP
4.6637
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
39.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 57391482
ChEMBL ID
CHEMBL1922759
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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