General Information of the Compound
Compound ID
CP0422113
Compound Name
3-(1,3-dioxoisoindolin-2-yl)-N-(2-fluorophenyl)benzamide
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Structure
Formula
C21H13FN2O3
Molecular Weight
360.344
Canonical SMILES
Fc1ccccc1NC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C21H13FN2O3/c22-17-10-3-4-11-18(17)23-19(25)13-6-5-7-14(12-13)24-20(26)15-8-1-2-9-16(15)21(24)27/h1-12H,(H,23,25)
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InChIKey
NMHZIOFMRGYRHF-UHFFFAOYSA-N
Physicochemical Property
logP
3.8786
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 1354796
ChEMBL ID
CHEMBL1080875
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 = 1050 nM
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