General Information of the Compound
Compound ID
CP0475844
Compound Name
5-ethyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
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Structure
Formula
C9H8N2O4
Molecular Weight
208.173
Canonical SMILES
CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
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InChI
InChI=1S/C9H8N2O4/c1-2-4-3-5(12)15-8-6(4)7(13)10-9(14)11-8/h3H,2H2,1H3,(H2,10,11,13,14)
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InChIKey
QNNLNKSZZMJQSG-UHFFFAOYSA-N
Physicochemical Property
logP
-0.268
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
95.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 15605287
SID: 21962272
ChEMBL ID
CHEMBL2036810
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 = 31 nM
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