General Information of the Compound
Compound ID
CP0485523
Compound Name
2-(3,4-dimethoxyphenyl)-6-(2-phenylethynyl)imidazo[1,2-a]pyridin-8-amine
    Show/Hide
Structure
Formula
C23H19N3O2
Molecular Weight
369.424
Canonical SMILES
COc1ccc(cc1OC)-c1cn2cc(cc(N)c2n1)C#Cc1ccccc1
    Show/Hide
InChI
InChI=1S/C23H19N3O2/c1-27-21-11-10-18(13-22(21)28-2)20-15-26-14-17(12-19(24)23(26)25-20)9-8-16-6-4-3-5-7-16/h3-7,10-15H,24H2,1-2H3
    Show/Hide
InChIKey
QRLWIMCSIHEOFH-UHFFFAOYSA-N
Physicochemical Property
logP
4.0005
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
61.78
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 145962337
ChEMBL ID
CHEMBL4126775
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS