General Information of the Compound
| Compound ID |
CP0517624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-N-(1-methylimidazo[4,5-c]pyridin-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20N6O
|
||||||||||||||||||
| Molecular Weight |
312.377
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc2cnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20N6O/c1-21-10-19-12-7-17-14(6-13(12)21)20-15-18-8-16(23-15)9-22-4-2-11(16)3-5-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18,20)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVLHURDPLMAEST-INIZCTEOSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7