General Information of the Compound
Compound ID
CP0448535
Compound Name
N-hydroxy-2-methoxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide
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Structure
Formula
C19H19NO4
Molecular Weight
325.364
Canonical SMILES
COCC(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
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InChI
InChI=1S/C19H19NO4/c1-13(20(22)19(21)12-23-2)15-8-9-17-16(10-15)11-18(24-17)14-6-4-3-5-7-14/h3-11,13,22H,12H2,1-2H3
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InChIKey
LTPQFSOZWCWMBE-UHFFFAOYSA-N
Physicochemical Property
logP
4.025
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
62.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 10041982
SID: 15025023
ChEMBL ID
CHEMBL332395
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 = 160 nM
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