General Information of the Compound
Compound ID
CP0515206
Compound Name
6,7-Dimethoxy-4-(4-phenoxybutoxy)furo[2,3-b]quinoline
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Structure
Formula
C23H23NO5
Molecular Weight
393.439
Canonical SMILES
COc1cc2nc3occc3c(OCCCCOc3ccccc3)c2cc1OC
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InChI
InChI=1S/C23H23NO5/c1-25-20-14-18-19(15-21(20)26-2)24-23-17(10-13-29-23)22(18)28-12-7-6-11-27-16-8-4-3-5-9-16/h3-5,8-10,13-15H,6-7,11-12H2,1-2H3
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InChIKey
IBUCGESUEKMSCZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2362
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
62.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 42631254
SID: 81070255
ChEMBL ID
CHEMBL549528
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 = 150 nM
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