QUIZALOFOP

/static/temp/default.svg Search structure
Synonyms
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 ...

Structure

InChI Key ABOOPXYCKNFDNJ-UHFFFAOYSA-N
Smiles CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O
InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H13ClN2O4
Molecular Weight 344.75
AlogP 4.01
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 81.54
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Increase of poly-3-hydroxybutyrate production in rCAB8 transgenic Nicotiana tabacum (tobacco) plastids at 50 uM sprayed on five-leaf stage plant once in a week measured after 2 weeks relative to cytosol Nicotiana tabacum 2.5
Increase of poly-3-hydroxybutyrate production in BC3 transgenic Nicotiana tabacum (tobacco) plastids at 10 uM sprayed on five-leaf stage plant once in a week measured after 2 weeks relative to cytosol Nicotiana tabacum 2.5
Increase of poly-3-hydroxybutyrate production in BC3 transgenic Nicotiana tabacum (tobacco) at 10 uM sprayed on five leaf stage plant once in a week measured after 2 weeks relative to control Nicotiana tabacum 170.0 %
Increase of poly-3-hydroxybutyrate production in rCAB8 transgenic Nicotiana tabacum (tobacco) at 50 uM sprayed on five-leaf stage plant once in a week measured after 1 week relative to control Nicotiana tabacum 120.0 %
Increase of poly-3-hydroxybutyrate production in BC3 transgenic Nicotiana tabacum (tobacco) at 10 uM sprayed on five-leaf stage plant once in a week measured after 1 week relative to control Nicotiana tabacum 150.0 %
Increase of leaf dry weight in BC3 transgenic Nicotiana tabacum (tobacco) at 10 uM sprayed on five leaf stage plant once in a week measured after 1 week Nicotiana tabacum None
Increase of PHA synthase level in rCAB8 transgenic Nicotiana tabacum (tobacco) at 50 uM sprayed on five leaf stage plant once in a week measured after 2 weeks by immunoblot analysis Nicotiana tabacum None
Increase of PHA synthase level in BC3 transgenic Nicotiana tabacum (tobacco) at 10 uM sprayed on five leaf stage plant once in a week measured after 2 weeks by immunoblot analysis Nicotiana tabacum None
Increase of poly-3-hydroxybutyrate production in rCAB8 transgenic Nicotiana tabacum (tobacco) at 50 uM sprayed on five-leaf stage plant once in a week measured after 2 weeks relative to control Nicotiana tabacum 150.0 %
Increase of leaf dry weight in rCAB8 transgenic Nicotiana tabacum (tobacco) at 10 to 250 uM sprayed on five leaf stage plant once in a week measured after 2 weeks Nicotiana tabacum None
Increase of poly-3-hydroxybutyrate production in BC3 transgenic Nicotiana tabacum (tobacco) at 2 to 50 uM sprayed on five-leaf stage plant once in a week measured after 2 weeks relative to control Nicotiana tabacum 170.0 %
Increase of leaf dry weight in BC3 transgenic Nicotiana tabacum (tobacco) sprayed on five-leaf stage plant once in a week measured after 2 weeks Nicotiana tabacum None
Post-emergence herbicidal activity against Avena fatua under greenhouse conditions at 1.3 g/a at 1.5-leaf stage measured after 3 weeks by pot test Avena fatua None
Post-emergence herbicidal activity against Avena fatua under greenhouse conditions at 0.6 g/a at 1.5-leaf stage measured after 3 weeks by pot test Avena fatua None
Post-emergence herbicidal activity against Avena fatua under greenhouse conditions at 0.3 g/a at 1.5-leaf stage measured after 3 weeks by pot test Avena fatua None
Phytotoxicity against Triticum aestivum (wheat) under greenhouse conditions at 2.5 g/a at 1.5-leaf stage measured after 3 weeks by pot test Triticum aestivum None
Phytotoxicity against Triticum aestivum (wheat) under greenhouse conditions at 1.3 g/a at 1.5-leaf stage measured after 3 weeks by pot test Triticum aestivum None
Phytotoxicity against Triticum aestivum (wheat) under greenhouse conditions at 0.6 g/a at 1.5-leaf stage measured after 3 weeks by pot test Triticum aestivum None
Phytotoxicity against Triticum aestivum (wheat) under greenhouse conditions at 0.3 g/a at 1.5-leaf stage measured after 3 weeks by pot test Triticum aestivum None
Post-emergence herbicidal activity against Avena fatua under greenhouse conditions at 2.5 g/a at 1.5-leaf stage measured after 3 weeks by pot test Avena fatua None

Cross References

Resources Reference
ChEMBL CHEMBL51789
PubChem 178795
SureChEMBL SCHEMBL111413
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