General Information of the Compound
Compound ID
CP0160054
Compound Name
N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
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Structure
Formula
C12H13N5S
Molecular Weight
259.338
Canonical SMILES
CN(C)c1nc(-c2nccn2C)c2sccc2n1
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InChI
InChI=1S/C12H13N5S/c1-16(2)12-14-8-4-7-18-10(8)9(15-12)11-13-5-6-17(11)3/h4-7H,1-3H3
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InChIKey
PYBJKDFKVLVPFI-UHFFFAOYSA-N
Physicochemical Property
logP
2.1578
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
46.84
Hydrogen Bond Donor Count
0
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: 44449599
ChEMBL ID
CHEMBL406314
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 = 14 nM