General Information of the Compound
Compound ID
CP0390049
Compound Name
3-[(2,4-dichlorophenyl)methylamino]-N-hydroxy-4-methylbenzamide
    Show/Hide
Structure
Formula
C15H14Cl2N2O2
Molecular Weight
325.195
Canonical SMILES
Cc1ccc(cc1NCc1ccc(Cl)cc1Cl)C(=O)NO
    Show/Hide
InChI
InChI=1S/C15H14Cl2N2O2/c1-9-2-3-10(15(20)19-21)6-14(9)18-8-11-4-5-12(16)7-13(11)17/h2-7,18,21H,8H2,1H3,(H,19,20)
    Show/Hide
InChIKey
ONGNZPREHFFCOZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.03292
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
61.36
Hydrogen Bond Donor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137643043
ChEMBL ID
CHEMBL4089635
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 = 18700 nM
   TI
   LI
   LO
   TS
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 14400 nM
   TI
   LI
   LO
   TS