General Information of the Compound
Compound ID
CP0506171
Compound Name
2,6-Dihydro-8-methyl-5-(4-phenoxybutoxy)pyrano[3,2-g][1]benzopyran-2,6-dione
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Structure
Formula
C23H20O6
Molecular Weight
392.407
Canonical SMILES
Cc1cc(=O)c2c(OCCCCOc3ccccc3)c3ccc(=O)oc3cc2o1
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InChI
InChI=1S/C23H20O6/c1-15-13-18(24)22-20(28-15)14-19-17(9-10-21(25)29-19)23(22)27-12-6-5-11-26-16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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InChIKey
RNKNLBUICUHGTK-UHFFFAOYSA-N
Physicochemical Property
logP
4.44582
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
78.88
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: 42631476
SID: 81070491
ChEMBL ID
CHEMBL559268
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 = 6000 nM
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