General Information of the Compound
Compound ID
CP0406777
Compound Name
2-methoxy-N-(3-(2-methoxyacetamido)phenyl)benzamide
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Structure
Formula
C17H18N2O4
Molecular Weight
314.341
Canonical SMILES
COCC(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1
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InChI
InChI=1S/C17H18N2O4/c1-22-11-16(20)18-12-6-5-7-13(10-12)19-17(21)14-8-3-4-9-15(14)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
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InChIKey
WJHQSJBSAUGXAK-UHFFFAOYSA-N
Physicochemical Property
logP
2.5324
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 38397232
ChEMBL ID
CHEMBL1076483
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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