General Information of the Compound
Compound ID
CP0058788
Compound Name
(E)-N-hydroxy-3-[4-(4-methoxyphenyl)phenyl]prop-2-enamide
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Structure
Formula
C16H15NO3
Molecular Weight
269.3
Canonical SMILES
COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)cc1
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InChI
InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+
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InChIKey
WKQPXLKFQLGQSM-NYYWCZLTSA-N
Physicochemical Property
logP
2.8808
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
58.56
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: 15986509
SID: 24265775
ChEMBL ID
CHEMBL561209
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 = 1160 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000145 NCI-H460 Homo sapiens (Human)  1
1
IC50 = 3700 nM
   TI
   LI
   LO
   TS
CL000423 IGROV-1 Homo sapiens (Human)  2
1
IC50 = 750 nM
   TI
   LI
   LO
   TS
2
IC50 = 2300 nM
   TI
   LI
   LO
   TS