General Information of the Compound
Compound ID
CP0245716
Compound Name
N-hydroxy-3-[4-(4-hydroxyphenyl)phenyl]propanamide
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Structure
Formula
C15H15NO3
Molecular Weight
257.289
Canonical SMILES
ONC(=O)CCc1ccc(cc1)-c1ccc(O)cc1
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InChI
InChI=1S/C15H15NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-2,4-9,17,19H,3,10H2,(H,16,18)
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InChIKey
BAVCWBNKXZAMDE-UHFFFAOYSA-N
Physicochemical Property
logP
2.4972
Rotatable Bonds
4
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: 42630929
SID: 81069899
ChEMBL ID
CHEMBL551151
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 = 1700 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000145 NCI-H460 Homo sapiens (Human)  1
1
IC50 = 15200 nM
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