General Information of the Compound
Compound ID
CP0220047
Compound Name
5-thieno[3,2-b]thiophenecarboxylic acid
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Structure
Formula
C7H4O2S2
Molecular Weight
184.241
Canonical SMILES
OC(=O)c1cc2sccc2s1
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InChI
InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
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InChIKey
GVZXSZWCZGKLRS-UHFFFAOYSA-N
Physicochemical Property
logP
2.661
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
11

"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: 660319
SID: 16520843
ChEMBL ID
CHEMBL1173787
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)  2
1
EC50 = 42400 nM
   TI
   LI
   LO
   TS
2
IC50 = 57000 nM
   TI
   LI
   LO
   TS