General Information of the Compound
Compound ID
CP0382769
Compound Name
4-Oxazolo[5,4-c]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
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Structure
Formula
C13H16N4O
Molecular Weight
244.298
Canonical SMILES
C1CN2CCC1N(CC2)c1nc2ccncc2o1
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InChI
InChI=1S/C13H16N4O/c1-4-14-9-12-11(1)15-13(18-12)17-8-7-16-5-2-10(17)3-6-16/h1,4,9-10H,2-3,5-8H2
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InChIKey
AJMDHGFXFDUETC-UHFFFAOYSA-N
Physicochemical Property
logP
1.5072
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
45.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 11230291
SID: 16313955
ChEMBL ID
CHEMBL598045
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 = 162 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 = 309 nM
   TI
   LI
   LO
   TS