General Information of the Compound
Compound ID
CP0503211
Compound Name
6-(6-fluoropyridin-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
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Structure
Formula
C21H24FN5O
Molecular Weight
381.455
Canonical SMILES
Fc1ccc(cn1)-c1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C21H24FN5O/c22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,17H,1-3,6-11H2
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InChIKey
JIJNJPCXFAUXBT-UHFFFAOYSA-N
Physicochemical Property
logP
3.8786
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
58.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 57392215
ChEMBL ID
CHEMBL1958161
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 = 70 nM
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