General Information of the Compound
Compound ID
CP0377264
Compound Name
(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) propanoate
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Structure
Formula
C11H19NO2
Molecular Weight
197.278
Canonical SMILES
CCC(=O)OC1CC2CCCC1N2C
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InChI
InChI=1S/C11H19NO2/c1-3-11(13)14-10-7-8-5-4-6-9(10)12(8)2/h8-10H,3-7H2,1-2H3
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InChIKey
TUIVYXUOOMYSLZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.5648
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 44318817
ChEMBL ID
CHEMBL440138
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 = 230 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)  2
1
Ki = 1200 nM
   TI
   LI
   LO
   TS
2
Ki = 2400 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 = 7400 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 = 960 nM
   TI
   LI
   LO
   TS
2
Ki = 1400 nM
   TI
   LI
   LO
   TS