General Information of the Compound
Compound ID
CP0514317
Compound Name
2-(4-chlorophenyl)-N-(thiazol-2-yl)acetamide
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Structure
Formula
C11H9ClN2OS
Molecular Weight
252.726
Canonical SMILES
Clc1ccc(CC(=O)Nc2nccs2)cc1
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InChI
InChI=1S/C11H9ClN2OS/c12-9-3-1-8(2-4-9)7-10(15)14-11-13-5-6-16-11/h1-6H,7H2,(H,13,14,15)
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InChIKey
PMVJQGMENOPHGS-UHFFFAOYSA-N
Physicochemical Property
logP
2.9777
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 847243
ChEMBL ID
CHEMBL594760
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
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