General Information of the Compound
Compound ID
CP0491222
Compound Name
1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide
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Structure
Formula
C13H15ClN2O2S2
Molecular Weight
330.862
Canonical SMILES
CC(C)C(c1ccc(Cl)cc1)S(=O)(=O)Nc1nccs1
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InChI
InChI=1S/C13H15ClN2O2S2/c1-9(2)12(10-3-5-11(14)6-4-10)20(17,18)16-13-15-7-8-19-13/h3-9,12H,1-2H3,(H,15,16)
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InChIKey
JFTNWLAPKFTWOJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9355
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 46226104
ChEMBL ID
CHEMBL596151
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: PT04096, Free fatty acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS