General Information of the Compound
Compound ID
CP0390404
Compound Name
2-(3,4-dimethoxyphenyl)-6-(furan-2-yl)imidazo[1,2-a]pyridin-8-amine
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Structure
Formula
C19H17N3O3
Molecular Weight
335.363
Canonical SMILES
COc1ccc(cc1OC)-c1cn2cc(cc(N)c2n1)-c1ccco1
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InChI
InChI=1S/C19H17N3O3/c1-23-17-6-5-12(9-18(17)24-2)15-11-22-10-13(16-4-3-7-25-16)8-14(20)19(22)21-15/h3-11H,20H2,1-2H3
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InChIKey
QQRVZCCBIDXFGH-UHFFFAOYSA-N
Physicochemical Property
logP
3.8607
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
74.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 145962261
ChEMBL ID
CHEMBL4130042
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 = 117 nM
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   LI
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   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
CC50 = 36400 nM
   TI
   LI
   LO
   TS