General Information of the Compound
| Compound ID |
CP0456289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)bicyclo[2.2.2]octan-1-yl)pentan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H35N3O
|
||||||||||||||||||
| Molecular Weight |
345.531
|
||||||||||||||||||
| Canonical SMILES |
CC(O)CCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H35N3O/c1-17(25)7-6-9-20-10-13-21(14-11-20,15-12-20)19-23-22-18-8-4-2-3-5-16-24(18)19/h17,25H,2-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYOODXKCWJLXMH-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2