General Information of the Compound
Compound ID
CP0537190
Compound Name
5-methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
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Structure
Formula
C12H10N4S
Molecular Weight
242.307
Canonical SMILES
Cc1nc(N)c2nc(sc2n1)-c1ccccc1
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InChI
InChI=1S/C12H10N4S/c1-7-14-10(13)9-12(15-7)17-11(16-9)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15)
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InChIKey
ZJNIOCHSLZRXEL-UHFFFAOYSA-N
Physicochemical Property
logP
2.64392
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
64.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 155523748
ChEMBL ID
CHEMBL4454225
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 34 nM
   TI
   LI
   LO
   TS
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
Ki = 248 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2656 nM
   TI
   LI
   LO
   TS