General Information of the Compound
Compound ID
CP0056658
Compound Name
4-Methoxy-7-((E)-styryl)-furo[3,2-g]chromen-5-one
    Show/Hide
Synonyms
MRS 1065
MRS1065
    Show/Hide
Structure
Formula
C20H14O4
Molecular Weight
318.328
Canonical SMILES
COc1c2ccoc2cc2oc(\C=C\c3ccccc3)cc(=O)c12
    Show/Hide
InChI
InChI=1S/C20H14O4/c1-22-20-15-9-10-23-17(15)12-18-19(20)16(21)11-14(24-18)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
    Show/Hide
InChIKey
HTBFQFPYNPJVLO-BQYQJAHWSA-N
Physicochemical Property
logP
4.7182
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
52.58
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10710647
SID: 15745577
ChEMBL ID
CHEMBL75590
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 8280 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MRS1065 )
Drug Name MRS1065
Target(s)
Adenosine A2b receptor (ADORA2B)
Antagonist
Adenosine A1 receptor (ADORA1)
Antagonist