General Information of the Compound
Compound ID
CP0503856
Compound Name
2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine
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Structure
Formula
C21H25N5O
Molecular Weight
363.465
Canonical SMILES
C1CCN(CC1)C1CCN(CC1)c1nc2ncc(cc2o1)-c1cccnc1
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InChI
InChI=1S/C21H25N5O/c1-2-9-25(10-3-1)18-6-11-26(12-7-18)21-24-20-19(27-21)13-17(15-23-20)16-5-4-8-22-14-16/h4-5,8,13-15,18H,1-3,6-7,9-12H2
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InChIKey
ANRYAIYMUARPOY-UHFFFAOYSA-N
Physicochemical Property
logP
3.7395
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
58.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 57397509
ChEMBL ID
CHEMBL1958156
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 = 95 nM
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