General Information of the Compound
Compound ID
CP0237924
Compound Name
4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]-nonane
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Structure
Formula
C13H15ClN4O
Molecular Weight
278.743
Canonical SMILES
Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2
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InChI
InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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InChIKey
XJNOJISWTROLSF-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: 10286136
SID: 15292052
ChEMBL ID
CHEMBL597241
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 = 1370 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 = 1 nM
   TI
   LI
   LO
   TS