EcoDrugPlus


Synonyms	BTS 49 465 BTS-49-465 BTS-49465 Flosequinan Manoplax
Status
Molecule Category	Free-form
ATC	C01DB01
UNII	6NB119DLU7
EPA CompTox	DTXSID1048833

Synonyms

BTS 49 465

BTS-49-465

BTS-49465

Flosequinan

Manoplax

Status

Molecule Category

Free-form

ATC

C01DB01

UNII

6NB119DLU7

EPA CompTox

DTXSID1048833


InChI Key	UYGONJYYUKVHDD-UHFFFAOYSA-N
Smiles	Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21
InChI	InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3

InChI Key

UYGONJYYUKVHDD-UHFFFAOYSA-N

Smiles

Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21

InChI

InChI=1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3

Property Name	Value
Molecular Formula	C11H10FNO2S
Molecular Weight	239.27
AlogP	1.41
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	39.07
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C11H10FNO2S

Molecular Weight

239.27

AlogP

1.41

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

39.07

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

16.0

Resources	Reference
ChEBI	134972
ChEMBL	CHEMBL1908307
DrugBank	DB13228
DrugCentral	1182
FDA SRS	6NB119DLU7
PubChem	4474062
SureChEMBL	SCHEMBL122877

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FLOSEQUINAN

Structure

Physicochemical Descriptors

Cross References