General Information of the Compound
Compound ID
CP0060320
Compound Name
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
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Structure
Formula
C18H17NO3
Molecular Weight
295.338
Canonical SMILES
COc1ccc(cc1)-c1ccc(\C=C\C=C\C(=O)NO)cc1
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InChI
InChI=1S/C18H17NO3/c1-22-17-12-10-16(11-13-17)15-8-6-14(7-9-15)4-2-3-5-18(20)19-21/h2-13,21H,1H3,(H,19,20)/b4-2+,5-3+
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InChIKey
FXNPBRHKCIZIAB-ZUVMSYQZSA-N
Physicochemical Property
logP
3.437
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 42631047
SID: 81070023
ChEMBL ID
CHEMBL538364
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 = 2400 nM
   TI
   LI
   LO
   TS
CL000145 NCI-H460 Homo sapiens (Human)  1
1
IC50 > 20000 nM
   TI
   LI
   LO
   TS
CL000423 IGROV-1 Homo sapiens (Human)  2
1
IC50 = 570 nM
   TI
   LI
   LO
   TS
2
IC50 = 2010 nM
   TI
   LI
   LO
   TS