General Information of the Compound
Compound ID
CP0006344
Compound Name
2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane
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Structure
Formula
C12H16N2
Molecular Weight
188.274
Canonical SMILES
C1CN2CCC1CC2c1cccnc1
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InChI
InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
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InChIKey
YJYPZLAZNIGNRP-UHFFFAOYSA-N
Physicochemical Property
logP
2.2384
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 10176454
SID: 15364504
ChEMBL ID
CHEMBL105374
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 40 nM
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