General Information of the Compound
Compound ID
CP0402077
Compound Name
[(5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] acetate
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Structure
Formula
C9H15NO2
Molecular Weight
169.224
Canonical SMILES
CN1CC2CC1C[C@@H]2OC(C)=O
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InChI
InChI=1S/C9H15NO2/c1-6(11)12-9-4-8-3-7(9)5-10(8)2/h7-9H,3-5H2,1-2H3/t7?,8?,9-/m0/s1
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InChIKey
QDLIBTCSVUNEMX-HACHORDNSA-N
Physicochemical Property
logP
0.6421
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 71452790
ChEMBL ID
CHEMBL2115122
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: PT01913, 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 = 17500 nM
   TI
   LI
   LO
   TS
Protein ID: PT01713, 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 = 12000 nM
   TI
   LI
   LO
   TS