General Information of the Compound
Compound ID
CP0739803
Compound Name
2-(2-chlorophenylamino)-5-cyclohexylthiazol-4(5H)-one
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Structure
Formula
C15H17ClN2OS
Molecular Weight
308.834
Canonical SMILES
O=C1N=C(Nc2ccccc2Cl)SC1C1CCCCC1
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InChI
InChI=1S/C15H17ClN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2,(H,17,18,19)
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InChIKey
CLXNATXQZSWKOJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3302
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
41.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 135989342
ChEMBL ID
CHEMBL240039
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 11 nM