General Information of the Compound
Compound ID
CP0562133
Compound Name
2,8-dioxopyrano[2,3-f]chromene-3,9-dicarboxylic acid
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Structure
Formula
C14H6O8
Molecular Weight
302.194
Canonical SMILES
OC(=O)c1cc2ccc3oc(=O)c(cc3c2oc1=O)C(O)=O
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InChI
InChI=1S/C14H6O8/c15-11(16)7-3-5-1-2-9-6(10(5)22-14(7)20)4-8(12(17)18)13(19)21-9/h1-4H,(H,15,16)(H,17,18)
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InChIKey
PLCUPSAHNNURAM-UHFFFAOYSA-N
Physicochemical Property
logP
1.2958
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
135.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 154634320
ChEMBL ID
CHEMBL4879017
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  3
1
EC50 = 310 nM
   TI
   LI
   LO
   TS
2
IC50 = 300 nM
   TI
   LI
   LO
   TS
3
IC50 = 430 nM
   TI
   LI
   LO
   TS