General Information of the Compound
Compound ID
CP0428395
Compound Name
(E)-N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enamide
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Structure
Formula
C15H19NO3
Molecular Weight
261.321
Canonical SMILES
ONC(=O)\C=C\C1CCC(CC1)c1ccc(O)cc1
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InChI
InChI=1S/C15H19NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h3,6-12,17,19H,1-2,4-5H2,(H,16,18)/b10-3+
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InChIKey
SHUFNENTPLTSFW-XCVCLJGOSA-N
Physicochemical Property
logP
2.7276
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
69.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 42632371
SID: 81071450
ChEMBL ID
CHEMBL539156
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 = 310 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 = 370 nM
   TI
   LI
   LO
   TS
CL000423 IGROV-1 Homo sapiens (Human)  2
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS
2
IC50 = 2600 nM
   TI
   LI
   LO
   TS
CL000519 NB4 Homo sapiens (Human)  1
1
IC50 = 900 nM
   TI
   LI
   LO
   TS