General Information of the Compound
Compound ID
CP0139226
Compound Name
(2E,4E)-N-hydroxy-5-(4-phenylphenyl)penta-2,4-dienamide
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Structure
Formula
C17H15NO2
Molecular Weight
265.312
Canonical SMILES
ONC(=O)\C=C\C=C\c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C17H15NO2/c19-17(18-20)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-13,20H,(H,18,19)/b6-4+,9-5+
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InChIKey
ZKTDNDPZXGIREF-REZHQCRGSA-N
Physicochemical Property
logP
3.4284
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 42632614
SID: 81071696
ChEMBL ID
CHEMBL538967
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 > 5000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 980 nM
   TI
   LI
   LO
   TS
CL000423 IGROV-1 Homo sapiens (Human)  2
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
2
IC50 = 2400 nM
   TI
   LI
   LO
   TS