General Information of the Compound
| Compound ID |
CP0551761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[4-[1-hydroxyethyl(dimethyl)silyl]phenyl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H16F6O2Si
|
||||||||||||||||||
| Molecular Weight |
346.343
|
||||||||||||||||||
| Canonical SMILES |
CC(O)[Si](C)(C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H16F6O2Si/c1-8(20)22(2,3)10-6-4-9(5-7-10)11(21,12(14,15)16)13(17,18)19/h4-8,20-21H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLYCWINNCSIANB-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 | |||||||||||||||||||
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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta