KRESOXIM-METHYL

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Synonyms
Molecule Category Free-form
UNII 0LXZ062TTB
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 ZOTBXTZVPHCKPN-HTXNQAPBSA-N
Smiles CO\N=C(\C(=O)OC)/c1ccccc1COc2ccccc2C
InChI
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19NO4
Molecular Weight 313.35
AlogP 3.73
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 57.12
Heavy Atoms 23.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Blumeria graminis
- - - - 100-100
Botryosphaeria berengeriana
- - - - 98.5
Botryotinia fuckeliana
- - - - 97.2-100
Botrytis
- - - - 50
Cochliobolus heterostrophus
- - - - 90.6
Colletotrichum gossypii
- - - - 50
Colletotrichum lagenaria
- - - - 30
Dothiorella gregaria
- - - - 82
Fusarium graminearum
- - - - 53-96.8
Fusarium oxysporum
- - - - 61
Magnaporthe oryzae
- - - - 100-100
Phytophthora infestans
- - - - 100
Podosphaera fuliginea
- - - - 98-100
Pseudoperonospora cubensis
- - - - 0-100
Rhizoctonia solani
- - - - 66.1-70
Sus scrofa
- - - 159.6 -

Cross References

Resources Reference
ChEMBL CHEMBL203191
FDA SRS 0LXZ062TTB
PubChem 6112114
SureChEMBL SCHEMBL18664
CONTENTS