General Information of the Compound
Compound ID
CP0439138
Compound Name
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
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Structure
Formula
C20H14Cl2N2O2
Molecular Weight
385.25
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
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InChI
InChI=1S/C20H14Cl2N2O2/c21-15-6-1-4-13(10-15)19(25)23-17-8-3-9-18(12-17)24-20(26)14-5-2-7-16(22)11-14/h1-12H,(H,23,25)(H,24,26)
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InChIKey
JKHBACOFQDYETG-UHFFFAOYSA-N
Physicochemical Property
logP
5.498
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 1369981
ChEMBL ID
CHEMBL1088448
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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