General Information of the Compound
Compound ID
CP0447837
Compound Name
3-(1,3-dioxoisoindolin-2-yl)-N-(3-hydroxyphenyl)benzamide
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Structure
Formula
C21H14N2O4
Molecular Weight
358.353
Canonical SMILES
Oc1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
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InChI
InChI=1S/C21H14N2O4/c24-16-8-4-6-14(12-16)22-19(25)13-5-3-7-15(11-13)23-20(26)17-9-1-2-10-18(17)21(23)27/h1-12,24H,(H,22,25)
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InChIKey
YFLDXDKAJFYKMJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4451
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
86.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 45375909
SID: 93367327
ChEMBL ID
CHEMBL1076240
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 = 7790 nM
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