ID: ALA5198099

Max Phase: Preclinical

Molecular Formula: C14H18F6O2Si

Molecular Weight: 360.37

Representations

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

Standard InChI:  InChI=1S/C14H18F6O2Si/c1-23(2,9-3-8-21)11-6-4-10(5-7-11)12(22,13(15,16)17)14(18,19)20/h4-7,21-22H,3,8-9H2,1-2H3

Standard InChI Key:  KNLLYRSQGRCDFQ-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: 360.37

Molecular Weight (Monoisotopic): 360.0980

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