N'-TERT-BUTYL-N'-(CYCLOHEXANECARBONYL)BENZOHYDRAZIDE

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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 QLOVGCRKIODXGD-UHFFFAOYSA-N
Smiles CC(C)(C)N(NC(=O)c1ccccc1)C(=O)C2CCCCC2
InChI
InChI=1S/C18H26N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3,(H,19,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26N2O2
Molecular Weight 302.41
AlogP 3.47
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 1.0
Heavy Atoms 22.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bombyx mori
46773.51 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL2286730
PubChem 15294615
SureChEMBL SCHEMBL8166805
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