General Information of the Compound
Compound ID
CP0160057
Compound Name
2-tert-butyl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine
    Show/Hide
Structure
Formula
C13H13N3S2
Molecular Weight
275.402
Canonical SMILES
CC(C)(C)c1nc(-c2nccs2)c2sccc2n1
    Show/Hide
InChI
InChI=1S/C13H13N3S2/c1-13(2,3)12-15-8-4-6-17-10(8)9(16-12)11-14-5-7-18-11/h4-7H,1-3H3
    Show/Hide
InChIKey
JDGVLPPKIZVIOR-UHFFFAOYSA-N
Physicochemical Property
logP
4.1123
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
38.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9921668
SID: 14893248
ChEMBL ID
CHEMBL406049
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 = 3.1 nM