General Information of the Compound
Compound ID
CP0453051
Compound Name
2-methoxy-N-(3-(2-phenylcyclopropanecarboxamido)phenyl)benzamide
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Structure
Formula
C24H22N2O3
Molecular Weight
386.451
Canonical SMILES
COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2c2ccccc2)c1
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InChI
InChI=1S/C24H22N2O3/c1-29-22-13-6-5-12-19(22)23(27)25-17-10-7-11-18(14-17)26-24(28)21-15-20(21)16-8-3-2-4-9-16/h2-14,20-21H,15H2,1H3,(H,25,27)(H,26,28)
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InChIKey
OSVPUXFRMNLWJO-UHFFFAOYSA-N
Physicochemical Property
logP
4.6897
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 46880027
ChEMBL ID
CHEMBL1087265
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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