ID: ALA5188497

Max Phase: Preclinical

Molecular Formula: C26H36O4Si

Molecular Weight: 440.66

Representations

Canonical SMILES:  C=C(c1ccc(O[Si](C)(C)C(C)(C)C)c2ccccc12)C1COC2(CCCCC2)OO1

Standard InChI:  InChI=1S/C26H36O4Si/c1-19(24-18-27-26(30-28-24)16-10-7-11-17-26)20-14-15-23(22-13-9-8-12-21(20)22)29-31(5,6)25(2,3)4/h8-9,12-15,24H,1,7,10-11,16-18H2,2-6H3

Standard InChI Key:  IBQNARCKUFARHH-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: 440.66

Molecular Weight (Monoisotopic): 440.2383

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. Karnatak M, Hassam M, Vanangamudi M, Sharma S, Kumar Yadav D, Singh C, Puri SK, Rawat V, Prakash Verma V..  (2021)  Novel naphthyl based 1,2,4-trioxanes: Synthesis and in vivo efficacy in the Plasmodium yoelii nigeriensis in Swiss mice.,  51  [PMID:34547418] [10.1016/j.bmcl.2021.128372]

Source

Source(1):

• Scientific Literature