General Information of the Compound
Compound ID
CP0454771
Compound Name
1-Aza-bicyclo[2.2.1]heptan-3-one O-hex-2-ynyl-oxime
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Structure
Formula
C12H18N2O
Molecular Weight
206.289
Canonical SMILES
CCCC#CCO\N=C1/CN2CCC1C2
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InChI
InChI=1S/C12H18N2O/c1-2-3-4-5-8-15-13-12-10-14-7-6-11(12)9-14/h11H,2-3,6-10H2,1H3/b13-12+
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InChIKey
YEYTYQIPKVEYCA-OUKQBFOZSA-N
Physicochemical Property
logP
1.498
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
24.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 10262405
SID: 15266416
ChEMBL ID
CHEMBL166782
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 = 9640 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 = 20600 nM
   TI
   LI
   LO
   TS