General Information of the Compound
Compound ID
CP0467099
Compound Name
2-phenylthieno[2,3-d]pyrimidin-4-amine
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Structure
Formula
C12H9N3S
Molecular Weight
227.292
Canonical SMILES
Nc1nc(nc2sccc12)-c1ccccc1
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InChI
InChI=1S/C12H9N3S/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)
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InChIKey
VQUWVROZMNLFDC-UHFFFAOYSA-N
Physicochemical Property
logP
2.9405
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
51.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 62188326
ChEMBL ID
CHEMBL2377086
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 500 nM
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