General Information of the Compound
Compound ID
CP0030986
Compound Name
N-(4-(2-propylhydrazine-1- carbonyl)benzyl)cinnamamide
    Show/Hide
Structure
Formula
C20H23N3O2
Molecular Weight
337.423
Canonical SMILES
CCCNNC(=O)c1ccc(CNC(=O)\C=C\c2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C20H23N3O2/c1-2-14-22-23-20(25)18-11-8-17(9-12-18)15-21-19(24)13-10-16-6-4-3-5-7-16/h3-13,22H,2,14-15H2,1H3,(H,21,24)(H,23,25)/b13-10+
    Show/Hide
InChIKey
MHZUZIALEUTHIU-JLHYYAGUSA-N
Physicochemical Property
logP
2.6606
Rotatable Bonds
8
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137700029
ChEMBL ID
CHEMBL4526892
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 = 11.81 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.89 nM
2 IC50 = 7.07 nM
3 IC50 = 11.3 nM
4 IC50 = 11.81 nM
5 IC50 = 36.4 nM
6 Ki = 40 nM
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 = 95.45 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM
2 IC50 = 24.8 nM
3 IC50 = 48 nM
4 IC50 = 89.9 nM
5 IC50 = 95.45 nM
6 Ki = 103 nM
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 = 0.95 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.95 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000091 MV4-11 Homo sapiens (Human)  1
1
EC50 = 36.37 nM
   TI
   LI
   LO
   TS
CL000186 RPMI-8226 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS