General Information of the Compound
| Compound ID |
CP0488471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-3-(2-(trifluoromethyl)phenyl)-5-(4-(2-(trifluoromethylsulfonyl)ethyl)bicyclo[2.2.2]octan-1-yl)-4H-1,2,4-triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F6N3O2S
|
||||||||||||||||||
| Molecular Weight |
495.489
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nnc1C12CCC(CCS(=O)(=O)C(F)(F)F)(CC1)CC2)-c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F6N3O2S/c1-30-16(14-4-2-3-5-15(14)20(22,23)24)28-29-17(30)19-9-6-18(7-10-19,8-11-19)12-13-33(31,32)21(25,26)27/h2-5H,6-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYOUVVMHXMQLMO-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: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2