General Information of the Compound
Compound ID
CP0141093
Compound Name
(E)-3-[4-(3,4-Dichloro-benzenesulfonylamino)-phenyl]-N-hydroxy-acrylamide
    Show/Hide
Structure
Formula
C15H12Cl2N2O4S
Molecular Weight
387.244
Canonical SMILES
ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
    Show/Hide
InChI
InChI=1S/C15H12Cl2N2O4S/c16-13-7-6-12(9-14(13)17)24(22,23)19-11-4-1-10(2-5-11)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)/b8-3+
    Show/Hide
InChIKey
WAJRLVVOBKIZMX-FPYGCLRLSA-N
Physicochemical Property
logP
3.3128
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
95.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 22986772
ChEMBL ID
CHEMBL95850
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
CL000203 T24 Homo sapiens (Human)  1
1
EC50 = 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 100 nM
2 IC50 = 120 nM