General Information of the Compound
Compound ID
CP0470396
Compound Name
1-Aza-bicyclo[2.2.1]heptan-3-one O-tert-butyl-oxime
    Show/Hide
Structure
Formula
C10H18N2O
Molecular Weight
182.267
Canonical SMILES
CC(C)(C)O\N=C1/CN2CCC1C2
    Show/Hide
InChI
InChI=1S/C10H18N2O/c1-10(2,3)13-11-9-7-12-5-4-8(9)6-12/h8H,4-7H2,1-3H3/b11-9+
    Show/Hide
InChIKey
FYDIZBUKDQGSSD-PKNBQFBNSA-N
Physicochemical Property
logP
1.493
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
24.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 10081053
SID: 15066989
ChEMBL ID
CHEMBL166593
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 = 3840 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 = 4460 nM
   TI
   LI
   LO
   TS