General Information of the Compound
Compound ID
CP0502416
Compound Name
N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]furan-2-carboxamide
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Structure
Formula
C21H17NO4
Molecular Weight
347.37
Canonical SMILES
CC(N(O)C(=O)c1ccco1)c1ccc2oc(cc2c1)-c1ccccc1
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InChI
InChI=1S/C21H17NO4/c1-14(22(24)21(23)19-8-5-11-25-19)16-9-10-18-17(12-16)13-20(26-18)15-6-3-2-4-7-15/h2-14,24H,1H3
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InChIKey
JFOIKPMWKNWOOJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2854
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
66.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 10337727
SID: 15348883
ChEMBL ID
CHEMBL120885
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 = 40 nM
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