General Information of the Compound
Compound ID
CP0382059
Compound Name
4-(3'-Chloro-phenyl)-N-(6-methylpyridin-2-yl)-benzamide
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Structure
Formula
C19H15ClN2O
Molecular Weight
322.795
Canonical SMILES
Cc1cccc(NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)n1
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InChI
InChI=1S/C19H15ClN2O/c1-13-4-2-7-18(21-13)22-19(23)15-10-8-14(9-11-15)16-5-3-6-17(20)12-16/h2-12H,1H3,(H,21,22,23)
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InChIKey
IVAREHJIGRSXHE-UHFFFAOYSA-N
Physicochemical Property
logP
4.96272
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 44158090
SID: 85158145
ChEMBL ID
CHEMBL468525
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 3330 nM
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