General Information of the Compound
Compound ID
CP0086044
Compound Name
(E)-N-hydroxy-3-(4-phenylphenyl)prop-2-enamide
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Synonyms
CHEMBL556532
N-Hydroxy-E-3-(biphenyl-4-yl)-acrylamide
SCHEMBL3290139
SCHEMBL3292226
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Structure
Formula
C15H13NO2
Molecular Weight
239.274
Canonical SMILES
ONC(=O)\C=C\c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C15H13NO2/c17-15(16-18)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11,18H,(H,16,17)/b11-8+
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InChIKey
YMXJQEHWXZULBO-DHZHZOJOSA-N
Physicochemical Property
logP
2.8722
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 42632368
SID: 81071446
ChEMBL ID
CHEMBL556532
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 = 820 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 820 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 1580 nM
   TI
   LI
   LO
   TS
CL000145 NCI-H460 Homo sapiens (Human)  1
1
IC50 = 5400 nM
   TI
   LI
   LO
   TS
CL000519 NB4 Homo sapiens (Human)  1
1
IC50 = 900 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-E-3-(biphenyl-4-yl)-acrylamide )
Drug Name N-Hydroxy-E-3-(biphenyl-4-yl)-acrylamide
Target(s)
Histone deacetylase 2 (HDAC2)
Inhibitor