General Information of the Compound
Compound ID
CP0510864
Compound Name
4-(6-sec-Butyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]-nonane
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Structure
Formula
C17H24N4O
Molecular Weight
300.406
Canonical SMILES
CCC(C)c1cnc2nc(oc2c1)N1CCN2CCC1CC2
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InChI
InChI=1S/C17H24N4O/c1-3-12(2)13-10-15-16(18-11-13)19-17(22-15)21-9-8-20-6-4-14(21)5-7-20/h10-12,14H,3-9H2,1-2H3
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InChIKey
KTKUQURYWSDAJX-UHFFFAOYSA-N
Physicochemical Property
logP
3.0207
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
45.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 46179829
SID: 96033969
ChEMBL ID
CHEMBL597275
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 > 1000 nM
   TI
   LI
   LO
   TS