General Information of the Compound
Compound ID
CP0778563
Compound Name
2-(2-chlorophenylamino)-5-cyclopentylthiazol-4(5H)-one
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Structure
Formula
C14H15ClN2OS
Molecular Weight
294.807
Canonical SMILES
O=C1N=C(Nc2ccccc2Cl)SC1C1CCCC1
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InChI
InChI=1S/C14H15ClN2OS/c15-10-7-3-4-8-11(10)16-14-17-13(18)12(19-14)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,16,17,18)
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InChIKey
JXIPHTFNPSUXSG-UHFFFAOYSA-N
Physicochemical Property
logP
3.9401
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
41.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 135989247
ChEMBL ID
CHEMBL240052
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 = 17 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.3 nM