(S)-ethyl 2-((2R,3S,5S)-5-((tert-butyldiphenylsilyloxy)methyl)-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-2-hydroxypropanoate

ID: ALA4515630

PubChem CID: 71599982

Max Phase: Preclinical

Molecular Formula: C30H37FN2O7Si

Molecular Weight: 584.72

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCOC(=O)[C@@](C)(O)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1n1cc(F)c(=O)[nH]c1=O

Standard InChI:  InChI=1S/C30H37FN2O7Si/c1-6-38-27(35)30(5,37)23-17-20(40-26(23)33-18-24(31)25(34)32-28(33)36)19-39-41(29(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,18,20,23,26,37H,6,17,19H2,1-5H3,(H,32,34,36)/t20-,23+,26+,30-/m0/s1

Standard InChI Key:  QWYIAOUQGBCOOM-LGQVRJFISA-N

Molfile:  

 
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   36.0578   -7.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

Alternative Forms

1. Parent:

   

   ALA4515630

   ethyl (2S)-2-[(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-2-hydroxypropanoate

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

Calculated Properties

Molecular Weight: 584.72

Molecular Weight (Monoisotopic): 584.2354

AlogP: ┄

#Rotatable Bonds: ┄

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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. Brai A, Martelli F, Riva V, Garbelli A, Fazi R, Zamperini C, Pollutri A, Falsitta L, Ronzini S, Maccari L, Maga G, Giannecchini S, Botta M..  (2019)  DDX3X Helicase Inhibitors as a New Strategy To Fight the West Nile Virus Infection.,  62  (5): [PMID:30721061] [10.1021/acs.jmedchem.8b01403]

Source

Source(1):

• Scientific Literature