General Information of the Compound
Compound ID
CP0214010
Compound Name
3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-propionamide
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Structure
Formula
C15H16N2O4S
Molecular Weight
320.37
Canonical SMILES
ONC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C15H16N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-7,9-10,17,19H,8,11H2,(H,16,18)
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InChIKey
UDTWOBDYINGQOW-UHFFFAOYSA-N
Physicochemical Property
logP
1.9254
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
95.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 4144
SID: 56356800
ChEMBL ID
CHEMBL98346
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
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Biochemical Assays
1 IC50 = 100 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
EC50 = 2000 nM
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