General Information of the Compound
Compound ID
CP0431396
Compound Name
9-(4-Phenoxybutyl)furo[2,3-b]quinolin-4(9H)-one
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Structure
Formula
C21H19NO3
Molecular Weight
333.387
Canonical SMILES
O=c1c2ccoc2n(CCCCOc2ccccc2)c2ccccc12
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InChI
InChI=1S/C21H19NO3/c23-20-17-10-4-5-11-19(17)22(21-18(20)12-15-25-21)13-6-7-14-24-16-8-2-1-3-9-16/h1-5,8-12,15H,6-7,13-14H2
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InChIKey
WYESUWPLPOVMCI-UHFFFAOYSA-N
Physicochemical Property
logP
4.6069
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
44.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 42631577
SID: 81070595
ChEMBL ID
CHEMBL541518
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 1000 nM
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