General Information of the Compound
Compound ID
CP0047253
Compound Name
N-hydroxy-4-methoxy-3-phenylmethoxybenzamide
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Structure
Formula
C15H15NO4
Molecular Weight
273.288
Canonical SMILES
COc1ccc(cc1OCc1ccccc1)C(=O)NO
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InChI
InChI=1S/C15H15NO4/c1-19-13-8-7-12(15(17)16-18)9-14(13)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,16,17)
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InChIKey
IGVRDNCZCPXENL-UHFFFAOYSA-N
Physicochemical Property
logP
2.3932
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
67.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 127046854
ChEMBL ID
CHEMBL3797516
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 12100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12100 nM
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2900 nM