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

ID: ALA5200317

Chembl Id: CHEMBL5200317

PubChem CID: 168290754

Max Phase: Preclinical

Molecular Formula: C21H17BN2O4

Molecular Weight: 372.19

Names and Identifiers

Canonical SMILES:  O=C(Nc1cccc(C(=O)Nc2ccc3c(c2)B(O)OC3)c1)c1ccccc1

Standard InChI:  InChI=1S/C21H17BN2O4/c25-20(14-5-2-1-3-6-14)23-17-8-4-7-15(11-17)21(26)24-18-10-9-16-13-28-22(27)19(16)12-18/h1-12,27H,13H2,(H,23,25)(H,24,26)

Standard InChI Key:  YAOZUINXYWQWRJ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5200317

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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: 372.19

Molecular Weight (Monoisotopic): 372.1281

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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