General Information of the Compound
Compound ID
CP0006324
Compound Name
(1R,2S,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol
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Structure
Formula
C12H18N2O2
Molecular Weight
222.288
Canonical SMILES
Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2
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InChI
InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12+/m1/s1
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InChIKey
WSVQLAYQNDPDAM-FOGDFJRCSA-N
Physicochemical Property
logP
1.47512
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
58.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 56666826
ChEMBL ID
CHEMBL1823385
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: PT03766, Acetylcholine receptor subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000005 TE 671 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS