General Information of the Compound
Compound ID
CP0428396
Compound Name
(E)-3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide
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Structure
Formula
C15H12ClNO3
Molecular Weight
289.718
Canonical SMILES
ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(Cl)c1
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InChI
InChI=1S/C15H12ClNO3/c16-13-9-12(6-7-14(13)18)11-4-1-10(2-5-11)3-8-15(19)17-20/h1-9,18,20H,(H,17,19)/b8-3+
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InChIKey
SQGBQXLCZJOPPV-FPYGCLRLSA-N
Physicochemical Property
logP
3.2312
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
69.56
Hydrogen Bond Donor Count
3
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: 15986507
SID: 24265773
ChEMBL ID
CHEMBL565140
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 = 460 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 = 3100 nM
   TI
   LI
   LO
   TS
CL000519 NB4 Homo sapiens (Human)  1
1
IC50 = 580 nM
   TI
   LI
   LO
   TS