General Information of the Compound
Compound ID
CP0501970
Compound Name
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]furan-2-carboxamide
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Structure
Formula
C20H20N2O4S
Molecular Weight
384.457
Canonical SMILES
Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1
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InChI
InChI=1S/C20H20N2O4S/c1-13-11-14(2)19(15(3)12-13)22-27(24,25)17-8-6-16(7-9-17)21-20(23)18-5-4-10-26-18/h4-12,22H,1-3H3,(H,21,23)
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InChIKey
XSPDMPSGIBFIBW-UHFFFAOYSA-N
Physicochemical Property
logP
4.25796
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
88.41
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: 1012759
ChEMBL ID
CHEMBL1223013
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 5960 nM
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