General Information of the Compound
Compound ID
CP0003306
Compound Name
cyclopropyl(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
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Structure
Formula
C11H18N2O
Molecular Weight
194.278
Canonical SMILES
O=C(C1CC1)N1CC2CNCC(C2)C1
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InChI
InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2
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InChIKey
SKFPODQWUBSOEM-UHFFFAOYSA-N
Physicochemical Property
logP
0.4643
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
32.34
Hydrogen Bond Donor Count
1
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: 44222951
SID: 85237678
ChEMBL ID
CHEMBL2179962
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 20 nM
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