General Information of the Compound
Compound ID
CP0391371
Compound Name
6-(6-methoxypyridin-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
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Structure
Formula
C22H27N5O2
Molecular Weight
393.491
Canonical SMILES
COc1cccc(n1)-c1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C22H27N5O2/c1-28-20-7-5-6-18(24-20)16-14-19-21(23-15-16)25-22(29-19)27-12-8-17(9-13-27)26-10-3-2-4-11-26/h5-7,14-15,17H,2-4,8-13H2,1H3
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InChIKey
BEYMZVUPYAOIOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7481
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
67.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 57390432
ChEMBL ID
CHEMBL1958163
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 = 23 nM
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