General Information of the Compound
Compound ID
CP0381814
Compound Name
(E)-3-[4-(4-chlorophenyl)phenyl]-N-hydroxyprop-2-enamide
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Synonyms
BDBM50293365
CHEMBL557066
N-Hydroxy-E-3-(4'-chlorobiphenyl-4-yl)-acrylamide
SCHEMBL3292983
SCHEMBL3292989
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Structure
Formula
C15H12ClNO2
Molecular Weight
273.719
Canonical SMILES
ONC(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C15H12ClNO2/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)17-19/h1-10,19H,(H,17,18)/b10-3+
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InChIKey
GBZPSEMNRBQROD-XCVCLJGOSA-N
Physicochemical Property
logP
3.5256
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 15986508
SID: 24265774
ChEMBL ID
CHEMBL557066
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 = 1860 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)  2
1
IC50 = 610 nM
   TI
   LI
   LO
   TS
2
IC50 = 1360 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-E-3-(4'-chlorobiphenyl-4-yl)-acrylamide )
Drug Name N-Hydroxy-E-3-(4'-chlorobiphenyl-4-yl)-acrylamide
Target(s)
Histone deacetylase 2 (HDAC2)
Inhibitor