ID: ALA3121745

Max Phase: Preclinical

Molecular Formula: C20H26O2Si

Molecular Weight: 326.51

Molecule Type: Unknown

Representations

Canonical SMILES:  CC1(C)CCC(C)(C)c2cc([Si](O)(O)c3ccccc3)ccc21

Standard InChI:  InChI=1S/C20H26O2Si/c1-19(2)12-13-20(3,4)18-14-16(10-11-17(18)19)23(21,22)15-8-6-5-7-9-15/h5-11,14,21-22H,12-13H2,1-4H3

Standard InChI Key:  ZGPSEBUDOKPMEH-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 326.51

Molecular Weight (Monoisotopic): 326.1702

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, Nakamura M, Matsumoto Y, Nakagomi M, Hashimoto Y..  (2014)  Development of novel silicon-containing inverse agonists of retinoic acid receptor-related orphan receptors.,  22  (6): [PMID:24559867] [10.1016/j.bmc.2014.01.023]

Source

Source(1):

• Scientific Literature