General Information of the Compound
Compound ID
CP0381811
Compound Name
(E)-3-[4-(4-cyanophenyl)phenyl]-N-hydroxyprop-2-enamide
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Synonyms
BDBM50293355
CHEMBL538710
N-Hydroxy-E-3-(4'-cyanobiphenyl-4-yl)-acrylamide
SCHEMBL3292715
SCHEMBL3292721
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Structure
Formula
C16H12N2O2
Molecular Weight
264.284
Canonical SMILES
ONC(=O)\C=C\c1ccc(cc1)-c1ccc(cc1)C#N
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InChI
InChI=1S/C16H12N2O2/c17-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(19)18-20/h1-10,20H,(H,18,19)/b10-5+
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InChIKey
NJUOLWKIAIFTKT-BJMVGYQFSA-N
Physicochemical Property
logP
2.74388
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
73.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 15986510
SID: 24265776
ChEMBL ID
CHEMBL538710
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: PT00835, Histone deacetylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 330 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000423 IGROV-1 Homo sapiens (Human)  1
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-E-3-(4'-cyanobiphenyl-4-yl)-acrylamide )
Drug Name N-Hydroxy-E-3-(4'-cyanobiphenyl-4-yl)-acrylamide
Target(s)
Histone deacetylase 2 (HDAC2)
Inhibitor