General Information of the Compound
Compound ID
CP0466336
Compound Name
1-Aza-bicyclo[2.2.1]heptan-3-one O-ethyl-oxime
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Structure
Formula
C8H14N2O
Molecular Weight
154.213
Canonical SMILES
CCO\N=C1/CN2CCC1C2
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InChI
InChI=1S/C8H14N2O/c1-2-11-9-8-6-10-4-3-7(8)5-10/h7H,2-6H2,1H3/b9-8+
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InChIKey
LIYNIIYRYCYRCY-CMDGGOBGSA-N
Physicochemical Property
logP
0.7144
Rotatable Bonds
2
Heavy Atom Count
11
Polar Areas
24.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
11

"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: 10130070
SID: 15120217
ChEMBL ID
CHEMBL352908
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: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000289 SK-N-SH Homo sapiens (Human)  1
1
EC50 = 8900 nM
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