CHROMAFENOZIDE

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Synonyms
Molecule Category Free-form
UNII 2ODM465D5M
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 HPNSNYBUADCFDR-UHFFFAOYSA-N
Smiles Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2ccc3OCCCc3c2C)C(C)(C)C
InChI
InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N2O3
Molecular Weight 394.51
AlogP 4.98
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 58.64
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bombyx mori
1 - - - -
Spodoptera littoralis
2.63 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL227020
FDA SRS 2ODM465D5M
PubChem 10157484
SureChEMBL SCHEMBL73335
CONTENTS