General Information of the Compound
Compound ID
CP0118631
Compound Name
2-cyclopropyl-4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine
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Structure
Formula
C12H9N3S2
Molecular Weight
259.359
Canonical SMILES
C1CC1c1nc(-c2nccs2)c2sccc2n1
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InChI
InChI=1S/C12H9N3S2/c1-2-7(1)11-14-8-3-5-16-10(8)9(15-11)12-13-4-6-17-12/h3-7H,1-2H2
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InChIKey
LPCQDRGHQVPEGR-UHFFFAOYSA-N
Physicochemical Property
logP
3.6922
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
38.67
Hydrogen Bond Donor Count
0
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: 25066016
SID: 56402879
ChEMBL ID
CHEMBL260719
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 = 3.3 nM