N-TERT-BUTYL-N'-(4-CHLOROBENZOYL)-3,5-DIMETHYLBENZOHYDRAZIDE

/static/temp/default.svg Search structure
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 SBQGINRWYSHEKN-UHFFFAOYSA-N
Smiles Cc1cc(C)cc(c1)C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C
InChI
InChI=1S/C20H23ClN2O2/c1-13-10-14(2)12-16(11-13)19(25)23(20(3,4)5)22-18(24)15-6-8-17(21)9-7-15/h6-12H,1-5H3,(H,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23ClN2O2
Molecular Weight 358.86
AlogP 4.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bombyx mori
19.05 - - - -
Drosophila melanogaster
16595.87 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2228859
PubChem 70428446
SureChEMBL SCHEMBL10721812
CONTENTS