ID: ALA3121743

Max Phase: Preclinical

Molecular Formula: C15H24O2Si

Molecular Weight: 264.44

Molecule Type: Unknown

Representations

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

Standard InChI:  InChI=1S/C15H24O2Si/c1-14(2)8-9-15(3,4)13-10-11(18(5,16)17)6-7-12(13)14/h6-7,10,16-17H,8-9H2,1-5H3

Standard InChI Key:  DCILTSNXBFVVTO-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: 264.44

Molecular Weight (Monoisotopic): 264.1546

AlogP:

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Molecular Species:

HBA:

HBD:

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HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

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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