General Information of the Compound
Compound ID
CP0258199
Compound Name
4-Methoxy-7-[(E)-phenyliminomethyl]-furo[3,2-g]chromen-5-one
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Formula
C19H13NO4
Molecular Weight
319.316
Canonical SMILES
COc1c2ccoc2cc2oc(\C=N\c3ccccc3)cc(=O)c12
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InChI
InChI=1S/C19H13NO4/c1-22-19-14-7-8-23-16(14)10-17-18(19)15(21)9-13(24-17)11-20-12-5-3-2-4-6-12/h2-11H,1H3/b20-11+
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InChIKey
GHZCBCUGMGHTJF-RGVLZGJSSA-N
Physicochemical Property
logP
4.2984
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
64.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
SID: 15620744
ChEMBL ID
CHEMBL74489
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 = 9180 nM
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