General Information of the Compound
Compound ID
CP0440485
Compound Name
(8-methyl-8-azabicyclo[3.2.1]octan-6-yl) cyclohexanecarboxylate
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Structure
Formula
C15H25NO2
Molecular Weight
251.37
Canonical SMILES
CN1C2CC(OC(=O)C3CCCCC3)C1CCC2
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InChI
InChI=1S/C15H25NO2/c1-16-12-8-5-9-13(16)14(10-12)18-15(17)11-6-3-2-4-7-11/h11-14H,2-10H2,1H3
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InChIKey
OALBGXZFCMPEGE-UHFFFAOYSA-N
Physicochemical Property
logP
2.7351
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44318930
ChEMBL ID
CHEMBL313738
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)  2
1
Ki = 450 nM
   TI
   LI
   LO
   TS
2
Ki = 7000 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 = 730 nM
   TI
   LI
   LO
   TS
2
Ki = 1600 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 = 3000 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 = 300 nM
   TI
   LI
   LO
   TS
2
Ki = 700 nM
   TI
   LI
   LO
   TS