General Information of the Compound
Compound ID
CP0930533
Compound Name
8-amino-2-(3,4-dimethoxyphenyl)-N-(4-hydroxyphenethyl)imidazo[1,2-a]pyridine-6-carboxamide hydrochloride
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Structure
Formula
C24H25ClN4O4
Molecular Weight
468.941
Canonical SMILES
COc1ccc(-c2cn3cc(C(=O)NCCc4ccc(O)cc4)cc(N)c3n2)cc1OC.Cl
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InChI
InChI=1S/C24H24N4O4.ClH/c1-31-21-8-5-16(12-22(21)32-2)20-14-28-13-17(11-19(25)23(28)27-20)24(30)26-10-9-15-3-6-18(29)7-4-15;/h3-8,11-14,29H,9-10,25H2,1-2H3,(H,26,30);1H
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InChIKey
RKFGMEAPBDTCCJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7006
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
111.11
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 145962802
ChEMBL ID
CHEMBL4127856
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