3-(cyclohexylmethoxy)-N-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)benzamide

ID: ALA5204060

Chembl Id: CHEMBL5204060

PubChem CID: 168293810

Max Phase: Preclinical

Molecular Formula: C21H24BNO4

Molecular Weight: 365.24

Names and Identifiers

Canonical SMILES:  O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(OCC2CCCCC2)c1

Standard InChI:  InChI=1S/C21H24BNO4/c24-21(23-18-10-9-17-14-27-22(25)20(17)12-18)16-7-4-8-19(11-16)26-13-15-5-2-1-3-6-15/h4,7-12,15,25H,1-3,5-6,13-14H2,(H,23,24)

Standard InChI Key:  XYMZSYOPXHKMOA-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5204060

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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

Calculated Properties

Molecular Weight: 365.24

Molecular Weight (Monoisotopic): 365.1798

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References

1. Kühl N, Lang J, Leuthold MM, Klein CD..  (2022)  Discovery of potent benzoxaborole inhibitors against SARS-CoV-2 main and dengue virus proteases.,  240  [PMID:35863275] [10.1016/j.ejmech.2022.114585]

Source

Source(1):

• Scientific Literature