General Information of the Compound
Compound ID
CP0382768
Compound Name
2-(5-Methoxyoxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
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Structure
Formula
C14H18N4O2
Molecular Weight
274.324
Canonical SMILES
COc1ccc2oc(nc2n1)N1CCN2CCC1CC2
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InChI
InChI=1S/C14H18N4O2/c1-19-12-3-2-11-13(15-12)16-14(20-11)18-9-8-17-6-4-10(18)5-7-17/h2-3,10H,4-9H2,1H3
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InChIKey
WJXIBLXJBTVURN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5158
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
54.63
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 46179722
SID: 96032354
ChEMBL ID
CHEMBL601899
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: PT03697, 5-hydroxytryptamine receptor 3A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 141 nM
   TI
   LI
   LO
   TS
Protein ID: PT02118, 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
Ki = 24.9 nM
   TI
   LI
   LO
   TS