FLUMETSULAM

/static/temp/default.svg Search structure
UNII X89F0S6LW8
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 RXCPQSJAVKGONC-UHFFFAOYSA-N
Smiles Cc1ccn2nc(nc2n1)S(=O)(=O)Nc3c(F)cccc3F
InChI
InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9F2N5O2S
Molecular Weight 325.29
AlogP 1.94
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 97.63
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Post-emergence herbicidal activity against Eclipta prostrata assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Eclipta prostrata 90.0 %
Post-emergence herbicidal activity against Eclipta prostrata assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Eclipta prostrata 90.0 %
Post-emergence herbicidal activity against Rumex acetosa assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Rumex acetosa 80.0 %
Post-emergence herbicidal activity against Rumex acetosa assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Rumex acetosa 50.0 %
Post-emergence herbicidal activity against Rumex acetosa assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Rumex acetosa 50.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Amaranthus retroflexus 90.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Amaranthus retroflexus 90.0 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Chenopodium album 90.0 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Chenopodium album 90.0 %
Post-emergence herbicidal activity against Chenopodium album assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Chenopodium album 50.0 %
Post-emergence herbicidal activity against Cyperus iria assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Cyperus iria 50.0 %
Post-emergence herbicidal activity against Cyperus iria assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Cyperus iria 50.0 %
Post-emergence herbicidal activity against Cyperus iria assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Cyperus iria 50.0 %
Post-emergence herbicidal activity against Cerastium arvense assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Cerastium arvense 90.0 %
Post-emergence herbicidal activity against Cerastium arvense assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Cerastium arvense 90.0 %
Post-emergence herbicidal activity against Cerastium arvense assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Cerastium arvense 90.0 %
Post-emergence herbicidal activity against Polygonum humifusum assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Polygonum humifusum 90.0 %
Post-emergence herbicidal activity against Polygonum humifusum assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Polygonum humifusum 90.0 %
Post-emergence herbicidal activity against Polygonum humifusum assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Polygonum humifusum 80.0 %
Post-emergence herbicidal activity against Galium aparine assessed as growth inhibition at 75 g ai/ha measured 15 days post compound treatment under green house conditions Galium aparine 50.0 %
Post-emergence herbicidal activity against Galium aparine assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Galium aparine 80.0 %
Post-emergence herbicidal activity against Galium aparine assessed as growth inhibition at 37.5 g ai/ha measured 15 days post compound treatment under green house conditions Galium aparine 50.0 %
Post-emergence herbicidal activity against Eclipta prostrata assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Eclipta prostrata 90.0 %
Post-emergence herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Amaranthus retroflexus 90.0 %
Post-emergence herbicidal activity against Brassica juncea assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Brassica juncea 90.0 %
Post-emergence herbicidal activity against Poa annua assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Poa annua 50.0 %
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Digitaria sanguinalis 80.0 %
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as growth inhibition at 150 g ai/ha measured 15 days post compound treatment under green house conditions Echinochloa crus-galli 50.0 %
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry Arabidopsis thaliana 360.0 nM
Inhibition of wild type Nicotiana tabacum (tobacco) S4-Hra GST-tagged acetolactate synthase mutant expressed in Escherichia coli by modified Westerfeld method Nicotiana tabacum 938.5 nM
Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method Nicotiana tabacum 31.6 nM
Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR33 (wild radish) Raphanus raphanistrum 1658.0 nM
Resistance index, ratio of I50 for ALS Ala122Tyr mutant in ALS-herbicide-resistant Raphanus raphanistrum WARR30 (wild radish) expressing ALS Ala122Tyr mutant to I50 for ALS-herbicide-susceptible Raphanus raphanistrum (wild radish) Raphanus raphanistrum 60.0
Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR7 (wild radish) Raphanus raphanistrum 1658.0 nM
Inhibition of ALS Ala122Tyr mutant in ALS-herbicide-resistant Raphanus raphanistrum WARR30 (wild radish) expressing ALS Ala122Tyr mutant Raphanus raphanistrum 100000.0 nM
Herbicidal activity against two to three leaf stage ALS-herbicide-susceptible Raphanus raphanistrum WARR7 (wild radish) assessed as reduction in dry weight of above-ground biomass measured 3 weeks after compound treatment Raphanus raphanistrum None
Herbicidal activity against two to three leaf stage ALS-herbicide-resistant Raphanus raphanistrum WARR30 (wild radish) expressing ALS Ala122Tyr mutant assessed as reduction in dry weight of above-ground biomass measured 3 weeks after compound treatment Raphanus raphanistrum None
Herbicidal activity against two to three leaf stage ALS-herbicide-susceptible Raphanus raphanistrum WARR7 (wild radish) assessed as reduction in survival measured 3 weeks after compound treatment Raphanus raphanistrum None
Herbicidal activity against two to three leaf stage ALS-herbicide-resistant Raphanus raphanistrum WARR30 (wild radish) expressing ALS Ala122Tyr mutant assessed as reduction in survival measured 3 weeks after compound treatment Raphanus raphanistrum None

Cross References

Resources Reference
ChEMBL CHEMBL1389671
FDA SRS X89F0S6LW8
PubChem 91759
SureChEMBL SCHEMBL54906
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