General Information of the Compound
Compound ID
CP0406776
Compound Name
N-(3-acetamidophenyl)-2-methoxybenzamide
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Structure
Formula
C16H16N2O3
Molecular Weight
284.315
Canonical SMILES
COc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1
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InChI
InChI=1S/C16H16N2O3/c1-11(19)17-12-6-5-7-13(10-12)18-16(20)14-8-3-4-9-15(14)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
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InChIKey
GECAYOSQSVQYCM-UHFFFAOYSA-N
Physicochemical Property
logP
2.9059
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 871987
ChEMBL ID
CHEMBL1088173
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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