ID: ALA5179248

Max Phase: Preclinical

Molecular Formula: C14H18F6OSi

Molecular Weight: 344.37

Representations

Canonical SMILES:  CC[Si](C)(CC)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

Standard InChI:  InChI=1S/C14H18F6OSi/c1-4-22(3,5-2)11-8-6-10(7-9-11)12(21,13(15,16)17)14(18,19)20/h6-9,21H,4-5H2,1-3H3

Standard InChI Key:  QJWKWXCDGBCZSA-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 344.37

Molecular Weight (Monoisotopic): 344.1031

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Namba N, Noguchi-Yachide T, Matsumoto Y, Hashimoto Y, Fujii S..  (2022)  Design, synthesis and structure-activity relationship of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxyisoprop-2-yl)phenylsilane derivatives as liver X receptor agonists.,  66  [PMID:35576658] [10.1016/j.bmc.2022.116792]

Source

Source(1):

• Scientific Literature