General Information of the Compound
Compound ID
CP0390319
Compound Name
N-(3-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
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Structure
Formula
C21H13ClN2O3
Molecular Weight
376.799
Canonical SMILES
Clc1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
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InChI
InChI=1S/C21H13ClN2O3/c22-14-6-4-7-15(12-14)23-19(25)13-5-3-8-16(11-13)24-20(26)17-9-1-2-10-18(17)21(24)27/h1-12H,(H,23,25)
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InChIKey
DUZWYASWPZMUCZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3929
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: 1354507
ChEMBL ID
CHEMBL1079740
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 = 1780 nM
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