General Information of the Compound
Compound ID
CP0539524
Compound Name
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
    Show/Hide
Structure
Formula
C18H24N4O
Molecular Weight
312.417
Canonical SMILES
C=Cc1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C18H24N4O/c1-2-14-12-16-17(19-13-14)20-18(23-16)22-10-6-15(7-11-22)21-8-4-3-5-9-21/h2,12-13,15H,1,3-11H2
    Show/Hide
InChIKey
FOLMOEKFBMVMTN-UHFFFAOYSA-N
Physicochemical Property
logP
3.3205
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
45.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57402706
ChEMBL ID
CHEMBL1958144
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 = 370 nM
   TI
   LI
   LO
   TS