General Information of the Compound
Compound ID
CP0124542
Compound Name
2-(furan-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
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Structure
Formula
C15H16N4O2S
Molecular Weight
316.386
Canonical SMILES
Nc1nc(nc2sc(CN3CCOCC3)cc12)-c1ccco1
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InChI
InChI=1S/C15H16N4O2S/c16-13-11-8-10(9-19-3-6-20-7-4-19)22-15(11)18-14(17-13)12-2-1-5-21-12/h1-2,5,8H,3-4,6-7,9H2,(H2,16,17,18)
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InChIKey
WKCYYQAUFYIEID-UHFFFAOYSA-N
Physicochemical Property
logP
2.3657
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
77.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 45279725
SID: 92762161
ChEMBL ID
CHEMBL3222055
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 1680 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1680 nM
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 29 nM