DUP-697

CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(Br)=C2)C3=CC=C(F)C=C3

InChIKey=AJFTZWGGHJXZOB-UHFFFAOYSA-N

InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclooxygenase-2 196 Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19523822	Inhibitor 8297		2.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:00:22 GMT 2023` Edited by `admin` on `Sat Dec 16 05:00:22 GMT 2023`
Record UNII	MRWLZPOFPA
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

DUP-697

Code

English

5-BROMO-2-(4-FLUOROPHENYL)-3-(4-METHYLSULFONYLPHENYL)-THIOPHENE

Systematic Name

English

THIOPHENE, 5-BROMO-2-(4-FLUOROPHENYL)-3-(4-(METHYLSULFONYL)PHENYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MRWLZPOFPA

Created by admin on Sat Dec 16 05:00:22 GMT 2023 , Edited by admin on Sat Dec 16 05:00:22 GMT 2023

PRIMARY

PUBCHEM

3177

Created by admin on Sat Dec 16 05:00:22 GMT 2023 , Edited by admin on Sat Dec 16 05:00:22 GMT 2023

PRIMARY

EPA CompTox

DTXSID50236857

Created by admin on Sat Dec 16 05:00:22 GMT 2023 , Edited by admin on Sat Dec 16 05:00:22 GMT 2023

PRIMARY

CAS

88149-94-4

Created by admin on Sat Dec 16 05:00:22 GMT 2023 , Edited by admin on Sat Dec 16 05:00:22 GMT 2023

PRIMARY