General Information of the Compound
Compound ID
CP0391107
Compound Name
2-methyl-3-oxo-2,3-dihydro-[2,2']bifuranyl-5-carboxylic acid
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Structure
Formula
C10H8O5
Molecular Weight
208.169
Canonical SMILES
CC1(OC(=CC1=O)C(O)=O)c1ccco1
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InChI
InChI=1S/C10H8O5/c1-10(8-3-2-4-14-8)7(11)5-6(15-10)9(12)13/h2-5H,1H3,(H,12,13)
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InChIKey
HWWTURDCJBNZDY-UHFFFAOYSA-N
Physicochemical Property
logP
1.0626
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
76.74
Hydrogen Bond Donor Count
1
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: 11367769
SID: 16460589
ChEMBL ID
CHEMBL373880
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 = 46000 nM
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