General Information of the Compound
Compound ID
CP0004845
Compound Name
(-)-Spiro[1-azabicyclo(2.2.2)octane-3,5'-oxazolidin-2'-one]
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Structure
Formula
C9H14N2O2
Molecular Weight
182.223
Canonical SMILES
O=C1NC[C@@]2(CN3CCC2CC3)O1
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InChI
InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1
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InChIKey
TYAGAVRSOFABFO-VIFPVBQESA-N
Physicochemical Property
logP
0.1906
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 5310971
SID: 26683769
ChEMBL ID
CHEMBL193016
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
CL000033 GH3 Rattus norvegicus (Rat)  1
1
EC50 = 398.11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 92 nM
2 Ki = 92 nM
3 Ki = 340 nM
4 Ki = 420 nM