ID: ALA3586247

Max Phase: Preclinical

Molecular Formula: C23H26F6OSi

Molecular Weight: 460.53

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCCC[Si]1(CCCC)c2ccccc2-c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

Standard InChI:  InChI=1S/C23H26F6OSi/c1-3-5-13-31(14-6-4-2)19-10-8-7-9-17(19)18-15-16(11-12-20(18)31)21(30,22(24,25)26)23(27,28)29/h7-12,15,30H,3-6,13-14H2,1-2H3

Standard InChI Key:  DGSPZRYLCXIOOA-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 460.53

Molecular Weight (Monoisotopic): 460.1657

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. Toyama H, Nakamura M, Hashimoto Y, Fujii S..  (2015)  Design and synthesis of novel ROR inverse agonists with a dibenzosilole scaffold as a hydrophobic core structure.,  23  (13): [PMID:26014484] [10.1016/j.bmc.2015.05.004]

Source

Source(1):

• Scientific Literature