General Information of the Compound
Compound ID
CP0464771
Compound Name
1-Aza-bicyclo[2.2.1]heptan-3-one O-(3-methyl-but-2-enyl)-oxime
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Structure
Formula
C11H18N2O
Molecular Weight
194.278
Canonical SMILES
CC(C)=CCO\N=C1/CN2CCC1C2
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InChI
InChI=1S/C11H18N2O/c1-9(2)4-6-14-12-11-8-13-5-3-10(11)7-13/h4,10H,3,5-8H2,1-2H3/b12-11+
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InChIKey
CDDIWPZUHAJMSE-VAWYXSNFSA-N
Physicochemical Property
logP
1.6607
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
24.83
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: 10035533
SID: 15017672
ChEMBL ID
CHEMBL82378
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
IC50 = 216 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)  1
1
IC50 = 519 nM
   TI
   LI
   LO
   TS