General Information of the Compound
Compound ID
CP0390930
Compound Name
(2-aminothieno[3,2-d]pyrimidin-4-yl)(5-methylthiophen-2-yl)methanone
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Structure
Formula
C12H9N3OS2
Molecular Weight
275.358
Canonical SMILES
Cc1ccc(s1)C(=O)c1nc(N)nc2ccsc12
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InChI
InChI=1S/C12H9N3OS2/c1-6-2-3-8(18-6)10(16)9-11-7(4-5-17-11)14-12(13)15-9/h2-5H,1H3,(H2,13,14,15)
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InChIKey
JRJLWTFAGRPOQJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.87442
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
68.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 46882997
ChEMBL ID
CHEMBL1077751
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 758 nM
   TI
   LI
   LO
   TS