BIFENOX


Synonyms	Bifenox
UNII	KSB85XT26Y
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


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

Structure


InChI Key	SUSRORUBZHMPCO-UHFFFAOYSA-N
Smiles	COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChI	InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H9Cl2NO5
Molecular Weight	342.13
AlogP	4.47
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	81.34
Molecular species	None
Aromatic Rings	2.0
Heavy Atoms	22.0

Assay Description	Organism	Bioactivity
Inhibition of Stellaria media protoporphyinogen oxidase assessed as herbicidal activity at 100 g/ha measured after 21 days after treatment under greenhouse by time-course analysis	Stellaria media	90.0 %
Inhibition of Veronica hederaefolia protoporphyrinogen oxidase by post-emergence herbicidal activity assay	Veronica hederifolia	30.0 gAi/ha
Inhibition of Viola arvensis protoporphyrinogen oxidase by post-emergence herbicidal activity assay	Viola arvensis	20.0 gAi/ha
Inhibition of Stellaria media protoporphyrinogen oxidase by post-emergence herbicidal activity assay	Stellaria media	100.0 gAi/ha
Inhibition of Tripleurospermum maritimum subsp. inodorum protoporphyrinogen oxidase by post-emergence herbicidal activity assay	Tripleurospermum maritimum subsp. inodorum	15.0 gAi/ha
Inhibition of Galium aparine protoporphyrinogen oxidase by post-emergence herbicidal activity assay	Galium aparine	50.0 gAi/ha

Cross References

Resources	Reference
ChEMBL	CHEMBL449928
FDA SRS	KSB85XT26Y
PubChem	39230
SureChEMBL	SCHEMBL38816
ZINC	ZINC00900751

CONTENTS


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).