General Information of the Compound
Compound ID
CP0930509
Compound Name
8-amino-2-(3,4-dimethoxyphenyl)-N-(3-(piperidin-1-yl)propyl)imidazo[1,2-a]pyridine-6-carboxamide dihydrochloride
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Structure
Formula
C24H33Cl2N5O3
Molecular Weight
510.466
Canonical SMILES
COc1ccc(-c2cn3cc(C(=O)NCCCN4CCCCC4)cc(N)c3n2)cc1OC.Cl.Cl
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InChI
InChI=1S/C24H31N5O3.2ClH/c1-31-21-8-7-17(14-22(21)32-2)20-16-29-15-18(13-19(25)23(29)27-20)24(30)26-9-6-12-28-10-4-3-5-11-28;;/h7-8,13-16H,3-6,9-12,25H2,1-2H3,(H,26,30);2*1H
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InChIKey
WRPZJUZGAGDAFH-UHFFFAOYSA-N
Physicochemical Property
logP
4.0501
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
94.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 145961433
ChEMBL ID
CHEMBL4125803
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