General Information of the Compound
Compound ID
CP0221441
Compound Name
2-(4-chloro-2-cyclohexylphenoxy)-N-(methylsulfonyl)acetamide
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Structure
Formula
C15H20ClNO4S
Molecular Weight
345.848
Canonical SMILES
CS(=O)(=O)NC(=O)COc1ccc(Cl)cc1C1CCCCC1
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InChI
InChI=1S/C15H20ClNO4S/c1-22(19,20)17-15(18)10-21-14-8-7-12(16)9-13(14)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18)
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InChIKey
UFDNRXIHSHKMNT-UHFFFAOYSA-N
Physicochemical Property
logP
2.8423
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
72.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44441186
ChEMBL ID
CHEMBL247541
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS