General Information of the Compound
Compound ID
CP0013650
Compound Name
7-(dibenzylamino)-N-hydroxyheptanamide
    Show/Hide
Structure
Formula
C21H28N2O2
Molecular Weight
340.467
Canonical SMILES
ONC(=O)CCCCCCN(Cc1ccccc1)Cc1ccccc1
    Show/Hide
InChI
InChI=1S/C21H28N2O2/c24-21(22-25)15-9-1-2-10-16-23(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-8,11-14,25H,1-2,9-10,15-18H2,(H,22,24)
    Show/Hide
InChIKey
DTZPKSVXYRJCGJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1447
Rotatable Bonds
11
Heavy Atom Count
25
Polar Areas
52.57
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57550498
ChEMBL ID
CHEMBL4212751
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00835, Histone deacetylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS