General Information of the Compound
Compound ID
CP0422100
Compound Name
2-methoxy-N-(3-(3-(trifluoromethyl)benzamido)phenyl)benzamide
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Structure
Formula
C22H17F3N2O3
Molecular Weight
414.383
Canonical SMILES
COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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InChI
InChI=1S/C22H17F3N2O3/c1-30-19-11-3-2-10-18(19)21(29)27-17-9-5-8-16(13-17)26-20(28)14-6-4-7-15(12-14)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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InChIKey
HUJOJFKROCQKBB-UHFFFAOYSA-N
Physicochemical Property
logP
5.2186
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 46879968
ChEMBL ID
CHEMBL1082088
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 = 10600 nM
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