General Information of the Compound
Compound ID
CP0554915
Compound Name
N'-butyl-4- phenoxybenzohydrazide
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Structure
Formula
C17H20N2O2
Molecular Weight
284.359
Canonical SMILES
CCCCNNC(=O)c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C17H20N2O2/c1-2-3-13-18-19-17(20)14-9-11-16(12-10-14)21-15-7-5-4-6-8-15/h4-12,18H,2-3,13H2,1H3,(H,19,20)
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InChIKey
FBBSREZIVYGITQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5134
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 139575787
ChEMBL ID
CHEMBL4749611
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00995, Histone deacetylase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 311.7 nM
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