EcoDrugPlus


Synonyms	Animert Tetrasul V-101
Status
Molecule Category	UNKNOWN
UNII	BEO7JP5U0R
EPA CompTox	DTXSID5020314

Synonyms

Animert

Tetrasul

V-101

Status

Molecule Category

UNKNOWN

UNII

BEO7JP5U0R

EPA CompTox

DTXSID5020314


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	QUWSDLYBOVGOCW-UHFFFAOYSA-N
Smiles	Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1
InChI	InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H

InChI Key

QUWSDLYBOVGOCW-UHFFFAOYSA-N

Smiles

Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1

InChI

InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H

Property Name	Value
Molecular Formula	C12H6Cl4S
Molecular Weight	324.06
AlogP	6.45
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	2.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	2.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H6Cl4S

Molecular Weight

324.06

AlogP

6.45

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

2.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

2.0

Heavy Atoms

17.0

Resources	Reference
ChEBI	82162
ChEMBL	CHEMBL1365576
DrugBank	DB12838
FDA SRS	BEO7JP5U0R
KEGG	C19032
PubChem	16685
SureChEMBL	SCHEMBL26508
ZINC	ZINC000002161992

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

KEGG

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

TETRASUL

Structure

Physicochemical Descriptors

Cross References