General Information of the Compound
Compound ID
CP0411147
Compound Name
2-chloro-N-(3-(2-methoxybenzamido)phenyl)benzamide
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Structure
Formula
C21H17ClN2O3
Molecular Weight
380.831
Canonical SMILES
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
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InChI
InChI=1S/C21H17ClN2O3/c1-27-19-12-5-3-10-17(19)21(26)24-15-8-6-7-14(13-15)23-20(25)16-9-2-4-11-18(16)22/h2-13H,1H3,(H,23,25)(H,24,26)
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InChIKey
WWHDFHRORGZPSL-UHFFFAOYSA-N
Physicochemical Property
logP
4.8532
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 24159834
ChEMBL ID
CHEMBL1081893
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 > 30000 nM
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