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

ID: ALA5181062

Chembl Id: CHEMBL5181062

PubChem CID: 168276364

Max Phase: Preclinical

Molecular Formula: C21H19BN2O3

Molecular Weight: 358.21

Names and Identifiers

Canonical SMILES:  O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(NCc2ccccc2)c1

Standard InChI:  InChI=1S/C21H19BN2O3/c25-21(24-19-10-9-17-14-27-22(26)20(17)12-19)16-7-4-8-18(11-16)23-13-15-5-2-1-3-6-15/h1-12,23,26H,13-14H2,(H,24,25)

Standard InChI Key:  NYSIIFSLAYZHCY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5181062

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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: 358.21

Molecular Weight (Monoisotopic): 358.1489

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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