ID: ALA4515630

Max Phase: Preclinical

Molecular Formula: C30H37FN2O7Si

Molecular Weight: 584.72

Molecule Type: Unknown

Representations

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

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: 584.72

Molecular Weight (Monoisotopic): 584.2354

AlogP:

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HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

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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