General Information of the Compound
Compound ID
CP0024400
Compound Name
6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane
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Structure
Formula
C10H17NO2
Molecular Weight
183.251
Canonical SMILES
CN1C2CC(OC(C)=O)C1CCC2
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InChI
InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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InChIKey
SEGNDTHRZAYKPQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.1747
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
29.54
Hydrogen Bond Donor Count
0
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: 10035281
SID: 15017362
ChEMBL ID
CHEMBL294273
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
Ki = 2700 nM
   TI
   LI
   LO
   TS
2
Ki = 2754.23 nM
   TI
   LI
   LO
   TS
3
Ki = 4400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 15000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 900 nM
   TI
   LI
   LO
   TS
2
Ki = 8300 nM
   TI
   LI
   LO
   TS