General Information of the Compound
| Compound ID |
CP0137587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Adamantan-1-yl-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H27N3
|
||||||||||||||||||
| Molecular Weight |
285.435
|
||||||||||||||||||
| Canonical SMILES |
C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H27N3/c1-2-4-6-21-16(5-3-1)19-20-17(21)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTYRDCHIMJKQQH-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1