PROPAQUIZAFOP

/static/temp/default.svg Search structure
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 FROBCXTULYFHEJ-OAHLLOKOSA-N
Smiles C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C
InChI
InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22ClN3O5
Molecular Weight 443.88
AlogP 4.05
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 92.13
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac and ammonium sulphate relative to control Setaria verticillata 184.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac and ammonium sulphate relative to control Setaria viridis 57.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days relative to control in presence of ammonium sulphate Setaria verticillata 94.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days relative to control in presence of ammonium sulphate Setaria viridis 89.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 1 day before compound challenge relative to control Setaria verticillata 75.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 3 days before compound challenge relative to control Setaria viridis 66.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 1 day before compound challenge relative to control Setaria viridis 56.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 3 days before compound challenge relative to control Setaria verticillata 81.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 1 day after compound challenge relative to control Setaria verticillata 90.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 1 day after compound challenge relative to control Setaria viridis 82.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 3 days after compound challenge relative to control Setaria verticillata 93.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac treated 3 days after compound challenge relative to control Setaria viridis 85.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 150 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria verticillata 83.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 150 g ai/ha after 45 days relative to control Setaria verticillata 100.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 125 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria verticillata 78.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 125 g ai/ha after 45 days relative to control Setaria verticillata 99.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 100 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria verticillata 73.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 100 g ai/ha after 45 days relative to control Setaria verticillata 95.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria verticillata 70.0 %
Herbicidal activity against Setaria verticillata assessed as reduction of fresh weight at 75 g ai/ha after 45 days relative to control Setaria verticillata 92.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 150 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria viridis 72.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 150 g ai/ha after 45 days relative to control Setaria viridis 99.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 125 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria viridis 66.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 125 g ai/ha after 45 days relative to control Setaria viridis 97.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 100 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria viridis 59.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 100 g ai/ha after 45 days relative to control Setaria viridis 91.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days in presence of 68 g ai/ha of pyrithiobac relative to control Setaria viridis 53.0 %
Herbicidal activity against Setaria viridis (green foxtail) assessed as reduction of fresh weight at 75 g ai/ha after 45 days relative to control Setaria viridis 86.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2251597
PubChem 16213016
SureChEMBL SCHEMBL43925
CONTENTS