General Information of the Compound
Compound ID
CP0490318
Compound Name
1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone
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Synonyms
1-(4-methoxyphenyl)-2-(phenylsulfonyl)-1-ethanone
1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone
2-(benzenesulfonyl)-1-(4-methoxyphenyl)ethanone
27918-37-2
4'-METHOXY-2-(PHENYLSULFONYL)ACETOPHENONE
4'-Methoxy-alpha-(phenylsulfonyl)acetophenone
7H-365S
AC1N74YZ
AKOS005097711
BDBM50212535
CHEMBL238620
CTK0J2325
DTXSID00401432
Ethanone, 1-(4-methoxyphenyl)-2-(phenylsulfonyl)-
KS-00003CN3
MCULE-5138703884
MolPort-002-876-892
Oprea1_356612
SCHEMBL6203408
ZINC399878
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Structure
Formula
C15H14O4S
Molecular Weight
290.34
Canonical SMILES
COc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C15H14O4S/c1-19-13-9-7-12(8-10-13)15(16)11-20(17,18)14-5-3-2-4-6-14/h2-10H,11H2,1H3
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InChIKey
ZVVAUSXHYOKZSR-UHFFFAOYSA-N
Physicochemical Property
logP
2.3518
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
60.44
Hydrogen Bond Donor Count
0
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: 4271571
SID: 16425872
ChEMBL ID
CHEMBL238620
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 = 75 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone )
Drug Name 1-(4-methoxyphenyl)-2-(phenylsulfonyl)ethanone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Inhibitor