PINOXADEN DIONE

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Molecule Category Free-form
UNII M63Y91U388
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 QHUWVQWAKAJLTJ-UHFFFAOYSA-N
Smiles CCc1cc(C)cc(CC)c1C2C(=O)N3CCOCCN3C2=O
InChI
InChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,16H,4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24N2O3
Molecular Weight 316.39
AlogP 2.52
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 49.85
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Zea mays
- 110-16900 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2270363
FDA SRS M63Y91U388
PubChem 11186156
SureChEMBL SCHEMBL64757
CONTENTS