General Information of the Compound
Compound ID
CP0130341
Compound Name
6-imidazo[1,2-a]pyrazin-3-yl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
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Structure
Formula
C22H25N7O
Molecular Weight
403.49
Canonical SMILES
C1CCN(CC1)C1CCN(CC1)c1nc2ncc(cc2o1)-c1cnc2cnccn12
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InChI
InChI=1S/C22H25N7O/c1-2-7-27(8-3-1)17-4-9-28(10-5-17)22-26-21-19(30-22)12-16(13-25-21)18-14-24-20-15-23-6-11-29(18)20/h6,11-15,17H,1-5,7-10H2
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InChIKey
XSTSMHYXGSASSG-UHFFFAOYSA-N
Physicochemical Property
logP
3.3872
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
75.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 57395717
ChEMBL ID
CHEMBL1958178
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 18 nM
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