General Information of the Compound
Compound ID
CP0356282
Compound Name
5-Amino-3-(4-methoxy-phenyl)-thiazolo[3,2-a]pyrimidin-7-one
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Structure
Formula
C13H11N3O2S
Molecular Weight
273.317
Canonical SMILES
COc1ccc(cc1)-c1csc2nc(=O)cc(N)n12
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InChI
InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-7-19-13-15-12(17)6-11(14)16(10)13/h2-7H,14H2,1H3
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InChIKey
MLNHYWWTTFZRTB-UHFFFAOYSA-N
Physicochemical Property
logP
2.0138
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
69.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 9881967
SID: 14848465
ChEMBL ID
CHEMBL89472
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 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 18 nM