FLUAZIFOP-P


UNII	P3S3257FZF
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	YUVKUEAFAVKILW-SECBINFHSA-N
Smiles	C[C@@H](Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(=O)O
InChI	InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H12F3NO4
Molecular Weight	327.26
AlogP	3.67
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	68.65
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	23.0

Assay Description	Organism	Bioactivity
Herbicidal activity against Malva sylvestris assessed as total dry weight at 0.225 kg/ha applied as spray during post-emergence (Rvb = 4.1 MT/ha)	Malva sylvestris	2.9 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total dry weight at 0.225 kg/ha applied as spray during post-emergence (Rvb = 4.1 MT/ha)	Cyperus rotundus	2.9 MT/ha
Herbicidal activity against Chenopodium murale assessed as total dry weight at 0.225 kg/ha applied as spray during postemergence (Rvb = 4.1 MT/ha)	Chenopodium murale	2.9 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total fresh weight at 0.225 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha)	Cyperus rotundus	15.6 MT/ha
Herbicidal activity against Malva sylvestris assessed as total fresh weight at 0.225 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha)	Malva sylvestris	15.6 MT/ha
Herbicidal activity against Chenopodium murale assessed as total fresh weight at 0.225 kg/ha applied as spray during postemergence (Rvb = 23.6 MT/ha)	Chenopodium murale	15.6 MT/ha
Phytotoxicity in Allium cepa (onion) seedling assessed as total fresh weight at 0.225 kg/ha applied as spray during post-emergence (Rvb = 7.71 MT/ha)	Allium cepa	9.18 MT/ha

Cross References

Resources	Reference
ChEMBL	CHEMBL2272787
FDA SRS	P3S3257FZF
PubChem	91733
SureChEMBL	SCHEMBL118853

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).