General Information of the Compound
Compound ID
CP0574746
Compound Name
N-(4-(2-pentylhydrazine-1- carbonyl)benzyl)benzamide
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Structure
Formula
C20H25N3O2
Molecular Weight
339.439
Canonical SMILES
CCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
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InChI
InChI=1S/C20H25N3O2/c1-2-3-7-14-22-23-20(25)18-12-10-16(11-13-18)15-21-19(24)17-8-5-4-6-9-17/h4-6,8-13,22H,2-3,7,14-15H2,1H3,(H,21,24)(H,23,25)
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InChIKey
HAPPIMWTPPPDNS-UHFFFAOYSA-N
Physicochemical Property
logP
3.0412
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 139558699
ChEMBL ID
CHEMBL4787148
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 = 18.74 nM
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