General Information of the Compound
Compound ID
CP0462557
Compound Name
2-(2-hydroxyphenyl)-6-(4-oxo-2-phenyl-4H-chromen-7-yloxy)-4H-chromen-4-one
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Structure
Formula
C30H18O6
Molecular Weight
474.468
Canonical SMILES
Oc1ccccc1-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
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InChI
InChI=1S/C30H18O6/c31-24-9-5-4-8-21(24)30-17-26(33)23-14-19(11-13-27(23)35-30)34-20-10-12-22-25(32)16-28(36-29(22)15-20)18-6-2-1-3-7-18/h1-17,31H
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InChIKey
FUJASGDHTZRONZ-UHFFFAOYSA-N
Physicochemical Property
logP
6.7313
Rotatable Bonds
4
Heavy Atom Count
36
Polar Areas
89.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 44569897
ChEMBL ID
CHEMBL468483
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
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   TS