General Information of the Compound
Compound ID
CP0526607
Compound Name
3-chloro-N-(6-chloropyridin-2-yl)benzamide
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Synonyms
3-chloro-N-(6-chloropyridin-2-yl)benzamide
BDBM50186322
CHEMBL208976
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Structure
Formula
C12H8Cl2N2O
Molecular Weight
267.115
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1cccc(Cl)n1
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InChI
InChI=1S/C12H8Cl2N2O/c13-9-4-1-3-8(7-9)12(17)16-11-6-2-5-10(14)15-11/h1-7H,(H,15,16,17)
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InChIKey
FCJWDXAXERKUEZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6407
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
41.99
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: 44412923
ChEMBL ID
CHEMBL208976
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-chloro-N-(6-chloropyridin-2-yl)benzamide )
Drug Name 3-chloro-N-(6-chloropyridin-2-yl)benzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor