General Information of the Compound
Compound ID
CP0430698
Compound Name
N-[3-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
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Structure
Formula
C18H13ClN2O3
Molecular Weight
340.766
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
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InChI
InChI=1S/C18H13ClN2O3/c19-13-5-1-4-12(10-13)17(22)20-14-6-2-7-15(11-14)21-18(23)16-8-3-9-24-16/h1-11H,(H,20,22)(H,21,23)
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InChIKey
UZIPRWIFWKXFES-UHFFFAOYSA-N
Physicochemical Property
logP
4.4376
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
71.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 960689
ChEMBL ID
CHEMBL1082168
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 = 4510 nM
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