FLUMIOXAZIN

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Molecule Category Free-form
UNII L0PX7OGI22
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 FOUWCSDKDDHKQP-UHFFFAOYSA-N
Smiles Fc1cc2OCC(=O)N(CC#C)c2cc1N3C(=O)C4=C(CCCC4)C3=O
InChI
InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15FN2O4
Molecular Weight 354.33
AlogP 3.22
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 66.92
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Amaranthus retroflexus
- - - - 100-100
Brassica rapa subsp. oleifera
- - - - 92.6-100
Digitaria sanguinalis
- - - - 85.4-100
Echinochloa crus-galli
- - - - 40.9-100
Echinochloa esculenta
- 3.98 - - -
Scenedesmus acutus
- 316.23 - - -
Zea mays
- 3.16-3.24 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2133606
FDA SRS L0PX7OGI22
PubChem 92425
SureChEMBL SCHEMBL39699
ZINC ZINC00900727
CONTENTS