General Information of the Compound
Compound ID
CP0118627
Compound Name
2-ethyl-4-(triazol-2-yl)thieno[3,2-d]pyrimidine
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Structure
Formula
C10H9N5S
Molecular Weight
231.284
Canonical SMILES
CCc1nc(-n2nccn2)c2sccc2n1
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InChI
InChI=1S/C10H9N5S/c1-2-8-13-7-3-6-16-9(7)10(14-8)15-11-4-5-12-15/h3-6H,2H2,1H3
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InChIKey
UUVWJUFHLHQBGQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.8344
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
56.49
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
16

"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: 44449707
ChEMBL ID
CHEMBL407652
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 779 nM