General Information of the Compound
Compound ID
CP0488989
Compound Name
N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide
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Structure
Formula
C16H21NO3
Molecular Weight
275.348
Canonical SMILES
CCCCc1cc2cc(ccc2o1)C(C)N(O)C(C)=O
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InChI
InChI=1S/C16H21NO3/c1-4-5-6-15-10-14-9-13(7-8-16(14)20-15)11(2)17(19)12(3)18/h7-11,19H,4-6H2,1-3H3
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InChIKey
JRCJUZHTNAMGBL-UHFFFAOYSA-N
Physicochemical Property
logP
4.0741
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
53.68
Hydrogen Bond Donor Count
1
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: 10265422
SID: 15269906
ChEMBL ID
CHEMBL331626
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 50 nM
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