General Information of the Compound
| Compound ID |
CP0510735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N4O3S
|
||||||||||||||||||
| Molecular Weight |
374.466
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N4O3S/c1-23-13-7-12-15(8-14(13)24-2)26-17(20-12)21-16-19-9-18(25-16)10-22-5-3-11(18)4-6-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJUIQWYLMURDJZ-UHFFFAOYSA-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: PT02118, Neuronal acetylcholine receptor subunit alpha-7