General Information of the Compound
| Compound ID |
CP0408939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-N-(5-bromopyrrolo[2,1-f][1,2,4]triazin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17BrN6O
|
||||||||||||||||||
| Molecular Weight |
377.246
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccn2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17BrN6O/c16-11-3-6-22-12(11)13(18-9-19-22)20-14-17-7-15(23-14)8-21-4-1-10(15)2-5-21/h3,6,9-10H,1-2,4-5,7-8H2,(H,17,18,19,20)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXQBYHLWUVRSRS-HNNXBMFYSA-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