General Information of the Compound
Compound ID
CP0313187
Compound Name
N-(3-hydroxy-4-methoxyphenyl)-4-oxochromene-3-carboxamide
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Structure
Formula
C17H13NO5
Molecular Weight
311.293
Canonical SMILES
COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O
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InChI
InChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21)
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InChIKey
MSBRYHZHOXWBPK-UHFFFAOYSA-N
Physicochemical Property
logP
2.7595
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
88.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 25027417
SID: 56378132
ChEMBL ID
CHEMBL1814065
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: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 5820 nM
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