General Information of the Compound
Compound ID
CP0481442
Compound Name
2-(2-methoxyphenyl)-6-(4-oxo-2-phenyl-4H-chromen-7-yloxy)-4H-chromen-4-one
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Structure
Formula
C31H20O6
Molecular Weight
488.495
Canonical SMILES
COc1ccccc1-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
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InChI
InChI=1S/C31H20O6/c1-34-27-10-6-5-9-23(27)31-18-26(33)24-15-20(12-14-28(24)36-31)35-21-11-13-22-25(32)17-29(37-30(22)16-21)19-7-3-2-4-8-19/h2-18H,1H3
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InChIKey
BFGRYVZDFHPLMG-UHFFFAOYSA-N
Physicochemical Property
logP
7.0343
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
78.88
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
37

"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: 44569896
ChEMBL ID
CHEMBL511936
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: PT01062, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 > 50000 nM
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   LI
   LO
   TS