General Information of the Compound
Compound ID
CP0438562
Compound Name
1-Aza-bicyclo[2.2.1]heptan-3-one O-propyl-oxime
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Structure
Formula
C9H16N2O
Molecular Weight
168.24
Canonical SMILES
CCCO\N=C1/CN2CCC1C2
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InChI
InChI=1S/C9H16N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h8H,2-7H2,1H3/b10-9+
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InChIKey
XUOXFNVMOHAQCW-MDZDMXLPSA-N
Physicochemical Property
logP
1.1045
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
24.83
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: 10419574
SID: 15437669
ChEMBL ID
CHEMBL167438
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)  2
1
EC50 = 27000 nM
   TI
   LI
   LO
   TS
2
IC50 = 3680 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 = 3980 nM
   TI
   LI
   LO
   TS