5-(2-CHLOROETHYL)-5-METHYL-2-(3-METHYL-2H-BENZO[B][1,4]OXAZIN-4(3H)-YL)THIAZOL-4(5H)-ONE

/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 DQUBQYVVQFVTDH-UHFFFAOYSA-N
Smiles CC1COc2ccccc2N1C3=NC(=O)C(C)(CCCl)S3
InChI
InChI=1S/C15H17ClN2O2S/c1-10-9-20-12-6-4-3-5-11(12)18(10)14-17-13(19)15(2,21-14)7-8-16/h3-6,10H,7-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17ClN2O2S
Molecular Weight 324.83
AlogP 3.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 67.2
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings root tips area exposed to 10 uM compound 3 days after sowing assessed as induction of curved cell wall membrane-cell wall interface measured after 8 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings root tips area exposed to 10 uM compound 3 days after sowing assessed as induction of vesicles accumulation at plasma membrane-cell wall interface measured after 8 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings root tips area exposed to 10 uM compound 3 days after sowing assessed as induction of obscuring of cell wall measured after 4 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings root tips area exposed to 10 uM compound 3 days after sowing assessed as induction of low electron dense area at membrane-cell wall interface measured after 4 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings root tips area exposed to 10 uM compound 3 days after sowing assessed as induction of curved cell wall membrane-cell wall interface measured after 4 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings root tips area exposed to 10 uM compound 3 days after sowing assessed as induction of endoplasmic reticulum swellings measured after 4 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings exposed to 10 uM compound 3 days after sowing assessed as induction of accumulation of dense vesicles around root tip golgi apparatus measured after 4 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings exposed to 10 uM compound 3 days after sowing assessed as induction of morphological changes in root tip golgi apparatus measured after 4 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings exposed to 10 uM compound 3 days after sowing assessed as induction of cytological changes in root apical tip area measured after 4 to 8 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Induction of necrotic symptoms in root tip of Echinochloa oryzicola seedlings exposed to 10 uM compound measured after 24 to 72 hr days post compound treatment Echinochloa oryzicola None
Induction of plant secretory pathway perturbations in Echinochloa oryzicola seedlings root tips area exposed to 10 uM compound 3 days after sowing assessed as induction of vesicles accumulation at plasma membrane-cell wall interface measured after 4 hr days post compound treatment by electron microscopy Echinochloa oryzicola None
Inhibition of shoot growth of Echinochloa oryzicola seedlings exposed to 10 uM compound 3 days after sowing measured after 24 to 72 hr days post compound treatment Echinochloa oryzicola None
Inhibition of root growth of Echinochloa oryzicola seedlings exposed to 10 uM compound 3 days after sowing measured after 24 to 72 hr days post compound treatment Echinochloa oryzicola None
Inhibition of root growth of Echinochloa oryzicola seedlings exposed to 10 uM compound immediately after sowing measured after 3 days post compound treatment Echinochloa oryzicola None
Inhibition of shoot growth of Echinochloa oryzicola seedlings exposed to 10 uM compound immediately after sowing measured after 2 days post compound treatment Echinochloa oryzicola None
Herbicidal activity against Cyperus serotinus assessed as compound application rate causing complete weed control measured 30 days after compound treatment under green house conditions Cyperus serotinus 0.25 KgAi/ha
Herbicidal activity against Rotala indica assessed as compound application rate causing complete weed control measured 30 days after compound treatment under green house conditions Rotala indica 0.25 KgAi/ha
Herbicidal activity against Lindernia procumbens assessed as compound application rate causing complete weed control measured 30 days after compound treatment under green house conditions Lindernia procumbens 0.25 KgAi/ha
Herbicidal activity against Monochoria vaginalis assessed as compound application rate causing complete weed control measured 30 days after compound treatment under green house conditions Monochoria vaginalis 0.25 KgAi/ha
Herbicidal activity against Schoenoplectiella juncoides assessed as compound application rate causing complete weed control measured 30 days after compound treatment under green house conditions Schoenoplectiella juncoides 0.25 KgAi/ha
Herbicidal activity against Echinochloa oryzicola assessed as compound application rate causing complete weed control measured 30 days after compound treatment under green house conditions Echinochloa oryzicola 0.25 KgAi/ha
Post-emergence phytotoxicity against Oryza sativa (rice) plants exposed to compound applied on surface of water 7 days after transplantation assessed as plant killing at 0.5 kg ai/ha measured 3 weeks after compound treatment under green house conditions Oryza sativa 0.0 %
Post-emergence herbicidal activity against Echinochloa oryzicola assessed as weed killing at 0.5 kg ai/ha measured 30 days after compound treatment under green house conditions Echinochloa oryzicola 70.0 %
Post-emergence herbicidal activity against Echinochloa oryzicola assessed as weed killing at 2 kg ai/ha measured 30 days after compound treatment under green house conditions Echinochloa oryzicola 80.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2287196
PubChem 76323800
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