N-BENZOYLAMINORHODANINE

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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 RUROHQISFWQEND-UHFFFAOYSA-N
Smiles O=C(NN1C(=O)CSC1=S)c2ccccc2
InChI
InChI=1S/C10H8N2O2S2/c13-8-6-16-10(15)12(8)11-9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8N2O2S2
Molecular Weight 252.31
AlogP 1.98
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 106.79
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Toxicity in ip dosed Mus musculus ddY (mouse) assessed as mortality after 1 to 7 days Mus musculus 1000.0 mg.kg-1
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 6.82 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 6.12 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 3.1 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll b level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 6.15 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 14.44 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 13.43 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 11.46 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as chlorophyll a level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 6.53 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 19.54 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 21.24 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 17.6 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as total chlorophyll level at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 9.62 %
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 3 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 79.6 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 5 x 10'-5 M after 7 days Brassica rapa subsp. oleifera 73.3 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 1 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 33.8 mm
Growth inhibition of Brassica rapa subsp. oleifera assessed as root growth at 3 x 10'-4 M after 7 days Brassica rapa subsp. oleifera 19.2 mm
Antifungal activity against Fusarium oxysporum OPS 118 after 7 days by agar dilution method Fusarium oxysporum 1000.0 ug.mL-1
Antifungal activity against Wickerhamomyces anomalus OPS 308 after 7 days by agar dilution method Wickerhamomyces anomalus 1000.0 ug.mL-1
Antifungal activity against Penicillium expansum IFO 8800 after 7 days by agar dilution method Penicillium expansum 1000.0 ug.mL-1
Antifungal activity against Candida albicans ATCC 10231 after 7 days by agar dilution method Candida albicans 1000.0 ug.mL-1
Antifungal activity against Trichophyton mentagrophytes IFO 32412 after 7 days by agar dilution method Trichophyton mentagrophytes 1000.0 ug.mL-1
Antifungal activity against Aspergillus niger ATCC 16404 after 7 days by agar dilution method Aspergillus niger 1000.0 ug.mL-1
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 5 ug/insect after 24 hr Musca domestica 0.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 5 ug/insect after 24 hr Culex pipiens pallens 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2268839
PubChem 482274
SureChEMBL SCHEMBL8595198
ZINC ZINC01067942
CONTENTS