N-(2-METHOXYPHENYL)-2{2-(2-METHOXYPHENYL)ACETYL}HYDRAZINECARBOXAMIDE

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Molecule Category Free-form
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 AYXWRMXBMFIHJM-UHFFFAOYSA-N
Smiles COc1ccccc1CC(=O)NNC(=O)Nc2ccccc2OC
InChI
InChI=1S/C17H19N3O4/c1-23-14-9-5-3-7-12(14)11-16(21)19-20-17(22)18-13-8-4-6-10-15(13)24-2/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19N3O4
Molecular Weight 329.35
AlogP 1.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 88.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 40700 - - 88.8

Cross References

Resources Reference
ChEMBL CHEMBL2238548
PubChem 71496614
ZINC ZINC56501754
CONTENTS