ID: ALA5190827

Max Phase: Preclinical

Molecular Formula: C25H34O4Si

Molecular Weight: 426.63

Representations

Canonical SMILES:  C=C(c1ccc(O[Si](C)(C)C(C)(C)C)c2ccccc12)C1COC2(CCCC2)OO1

Standard InChI:  InChI=1S/C25H34O4Si/c1-18(23-17-26-25(29-27-23)15-9-10-16-25)19-13-14-22(21-12-8-7-11-20(19)21)28-30(5,6)24(2,3)4/h7-8,11-14,23H,1,9-10,15-17H2,2-6H3

Standard InChI Key:  VMFQGZJLNIOWGP-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: 426.63

Molecular Weight (Monoisotopic): 426.2226

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