ID: ALA3578049

Max Phase: Preclinical

Molecular Formula: C28H37N3O6Si

Molecular Weight: 539.71

Molecule Type: Small molecule

Representations

Canonical SMILES:  COc1ccc2cc(C(=O)N[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)ccc2c1

Standard InChI:  InChI=1S/C28H37N3O6Si/c1-17-15-31(27(34)30-25(17)32)24-14-22(23(37-24)16-36-38(6,7)28(2,3)4)29-26(33)20-9-8-19-13-21(35-5)11-10-18(19)12-20/h8-13,15,22-24H,14,16H2,1-7H3,(H,29,33)(H,30,32,34)/t22-,23+,24+/m0/s1

Standard InChI Key:  AOEBBGUSEZYJOU-RBZQAINGSA-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: 539.71

Molecular Weight (Monoisotopic): 539.2452

AlogP:

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HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

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References

1. Vernekar SK, Qiu L, Zhang J, Kankanala J, Li H, Geraghty RJ, Wang Z..  (2015)  5'-Silylated 3'-1,2,3-triazolyl Thymidine Analogues as Inhibitors of West Nile Virus and Dengue Virus.,  58  (9): [PMID:25909386] [10.1021/acs.jmedchem.5b00327]

Source

Source(1):

• Scientific Literature