METHOXYFENOZIDE

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Synonyms
Molecule Category Free-form
UNII 62A22651ZX
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 QCAWEPFNJXQPAN-UHFFFAOYSA-N
Smiles COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
InChI
InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28N2O3
Molecular Weight 368.47
AlogP 4.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 58.64
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bombyx mori
3.39-6.03 - - - -
Drosophila melanogaster
16595.87 - - - -
Spodoptera littoralis
6.03 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL55772
FDA SRS 62A22651ZX
PubChem 105010
SureChEMBL SCHEMBL27595
ZINC ZINC02511852
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