General Information of the Compound
Compound ID
CP0540118
Compound Name
N-(4-(2-isopropylhydrazine-1- carbonyl)benzyl)benzamide
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Structure
Formula
C18H21N3O2
Molecular Weight
311.385
Canonical SMILES
CC(C)NNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
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InChI
InChI=1S/C18H21N3O2/c1-13(2)20-21-18(23)16-10-8-14(9-11-16)12-19-17(22)15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3,(H,19,22)(H,21,23)
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InChIKey
KFEITKITLIVSCT-UHFFFAOYSA-N
Physicochemical Property
logP
2.2594
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
70.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 139558721
ChEMBL ID
CHEMBL4751534
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 > 10000 nM
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   LI
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