General Information of the Compound
Compound ID
CP0383253
Compound Name
3,5-dichloro-N-(3-(2-methoxybenzamido)phenyl)benzamide
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Structure
Formula
C21H16Cl2N2O3
Molecular Weight
415.276
Canonical SMILES
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
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InChI
InChI=1S/C21H16Cl2N2O3/c1-28-19-8-3-2-7-18(19)21(27)25-17-6-4-5-16(12-17)24-20(26)13-9-14(22)11-15(23)10-13/h2-12H,1H3,(H,24,26)(H,25,27)
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InChIKey
MROMHUAADBQPPJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.5066
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 46879885
ChEMBL ID
CHEMBL1080989
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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