General Information of the Compound
Compound ID
CP0566432
Compound Name
5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
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Structure
Formula
C13H8N2O4
Molecular Weight
256.217
Canonical SMILES
O=c1[nH]c2oc(=O)cc(-c3ccccc3)c2c(=O)[nH]1
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InChI
InChI=1S/C13H8N2O4/c16-9-6-8(7-4-2-1-3-5-7)10-11(17)14-13(18)15-12(10)19-9/h1-6H,(H2,14,15,17,18)
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InChIKey
BREQCGFCJJGAMY-UHFFFAOYSA-N
Physicochemical Property
logP
0.8366
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
95.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 70696472
ChEMBL ID
CHEMBL2036817
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
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   LI
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