General Information of the Compound
Compound ID
CP0002365
Compound Name
(+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methyl-7-azabicyclo[2.2.1]heptane
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Structure
Formula
C17H18FN3
Molecular Weight
283.35
Canonical SMILES
CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1
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InChI
InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3
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InChIKey
PBFPUNUZLFYRGF-UHFFFAOYSA-N
Physicochemical Property
logP
3.2328
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
29.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 44593645
ChEMBL ID
CHEMBL478029
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: PT06030, Neuronal acetylcholine receptor subunit alpha-6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.047 nM
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