General Information of the Compound
Compound ID
CP0504479
Compound Name
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-1,3-thiazole-2-carboxamide
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Structure
Formula
C16H12ClN3O3S2
Molecular Weight
393.877
Canonical SMILES
Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1
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InChI
InChI=1S/C16H12ClN3O3S2/c17-13-3-1-2-4-14(13)20-25(22,23)12-7-5-11(6-8-12)19-15(21)16-18-9-10-24-16/h1-10,20H,(H,19,21)
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InChIKey
WEIFSKPMICJQOX-UHFFFAOYSA-N
Physicochemical Property
logP
3.8496
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 49865397
ChEMBL ID
CHEMBL1223312
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 = 77.4 nM
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