General Information of the Compound
Compound ID
CP0461482
Compound Name
1-Aza-bicyclo[2.2.1]heptan-3-one O-(4-methoxy-but-2-ynyl)-oxime
    Show/Hide
Structure
Formula
C11H16N2O2
Molecular Weight
208.261
Canonical SMILES
COCC#CCO\N=C1/CN2CCC1C2
    Show/Hide
InChI
InChI=1S/C11H16N2O2/c1-14-6-2-3-7-15-12-11-9-13-5-4-10(11)8-13/h10H,4-9H2,1H3/b12-11+
    Show/Hide
InChIKey
ANTVCMHSNDCZOH-VAWYXSNFSA-N
Physicochemical Property
logP
0.3443
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
34.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
15

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 15681303
ChEMBL ID
CHEMBL168991
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 = 42400 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 = 59300 nM
   TI
   LI
   LO
   TS