General Information of the Compound
Compound ID
CP0506170
Compound Name
9-Methoxy-7-methyl-4-(4-phenoxybutoxy)-5H-furo[3,2-g][1]benzopyran-5-one
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Structure
Formula
C23H22O6
Molecular Weight
394.423
Canonical SMILES
COc1c2occc2c(OCCCCOc2ccccc2)c2c1oc(C)cc2=O
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InChI
InChI=1S/C23H22O6/c1-15-14-18(24)19-20(17-10-13-28-21(17)23(25-2)22(19)29-15)27-12-7-6-11-26-16-8-4-3-5-9-16/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
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InChIKey
UBGKERMEXVRNEL-UHFFFAOYSA-N
Physicochemical Property
logP
5.09422
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
71.04
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: 42631363
SID: 81070370
ChEMBL ID
CHEMBL562998
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 = 1500 nM
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