General Information of the Compound
Compound ID
CP0342728
Compound Name
2-(6-Chlorooxazolo[5,4-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
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Structure
Formula
C13H15ClN4O
Molecular Weight
278.743
Canonical SMILES
Clc1cnc2oc(nc2c1)N1CCN2CCC1CC2
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InChI
InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)19-13(16-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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InChIKey
KZCFXYPUJPOLMF-UHFFFAOYSA-N
Physicochemical Property
logP
2.1606
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
45.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 46180746
SID: 96033970
ChEMBL ID
CHEMBL597276
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: 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 = 2.59 nM
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