ID: ALA74547

Max Phase: Preclinical

Molecular Formula: C23H32O4Si

Molecular Weight: 400.59

Molecule Type: Small molecule

Representations

Canonical SMILES:  COc1ccc(/C=C/c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1

Standard InChI:  InChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-22-20(25-5)15-18(16-21(22)26-6)10-9-17-11-13-19(24-4)14-12-17/h9-16H,1-8H3/b10-9+

Standard InChI Key:  QYELFYNGCBSTLN-MDZDMXLPSA-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: 400.59

Molecular Weight (Monoisotopic): 400.2070

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. Cushman M, Nagarathnam D, Gopal D, He HM, Lin CM, Hamel E..  (1992)  Synthesis and evaluation of analogues of (Z)-1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene as potential cytotoxic and antimitotic agents.,  35  (12): [PMID:1613753] [10.1021/jm00090a021]

2. PubChem BioAssay data set, 

Source

Source(2):

• Scientific Literature
• PubChem BioAssays