General Information of the Compound
Compound ID
CP0439149
Compound Name
3-(1,3-dioxoisoindolin-2-yl)-N-(2-methoxyphenyl)benzamide
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Structure
Formula
C22H16N2O4
Molecular Weight
372.38
Canonical SMILES
COc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C22H16N2O4/c1-28-19-12-5-4-11-18(19)23-20(25)14-7-6-8-15(13-14)24-21(26)16-9-2-3-10-17(16)22(24)27/h2-13H,1H3,(H,23,25)
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InChIKey
LDHABZWBRPJHQR-UHFFFAOYSA-N
Physicochemical Property
logP
3.7481
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
75.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 1350348
ChEMBL ID
CHEMBL1080452
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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