General Information of the Compound
Compound ID
CP0543302
Compound Name
2-[4-[tert-butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
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Structure
Formula
C15H20F6OSi
Molecular Weight
358.398
Canonical SMILES
CC(C)(C)[Si](C)(C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
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InChI
InChI=1S/C15H20F6OSi/c1-12(2,3)23(4,5)11-8-6-10(7-9-11)13(22,14(16,17)18)15(19,20)21/h6-9,22H,1-5H3
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InChIKey
CQDIVDMHKRLIRW-UHFFFAOYSA-N
Physicochemical Property
logP
4.7143
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
23

"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).

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PubChem ID
CID: 168282164
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 1130 nM
   TI
   LI
   LO
   TS
Protein ID: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 650 nM
   TI
   LI
   LO
   TS