4-(((4'-(5-(acetamidomethyl)-2-oxooxazolidin-3-yl)-2'-fluorobiphenyl-4-yl)methoxy)carbonyl)phenylboronic acid

ID: ALA4875440

PubChem CID: 164627408

Max Phase: Preclinical

Molecular Formula: C26H24BFN2O7

Molecular Weight: 506.30

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(=O)NCC1CN(c2ccc(-c3ccc(COC(=O)c4ccc(B(O)O)cc4)cc3)c(F)c2)C(=O)O1

Standard InChI:  InChI=1S/C26H24BFN2O7/c1-16(31)29-13-22-14-30(26(33)37-22)21-10-11-23(24(28)12-21)18-4-2-17(3-5-18)15-36-25(32)19-6-8-20(9-7-19)27(34)35/h2-12,22,34-35H,13-15H2,1H3,(H,29,31)

Standard InChI Key:  SZYVYDVUVLHIJX-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA4875440

   ---

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

Calculated Properties

Molecular Weight: 506.30

Molecular Weight (Monoisotopic): 506.1661

AlogP: ┄

#Rotatable Bonds: ┄

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Molecular Species: ┄

HBA: ┄

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): ┄

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: ┄

CX LogD: ┄

Aromatic Rings: ┄

Heavy Atoms: ┄

QED Weighted: ┄

Np Likeness Score: ┄

References

1. Cruz CD, Wrigstedt P, Moslova K, Iashin V, Mäkkylä H, Ghemtio L, Heikkinen S, Tammela P, Perea-Buceta JE..  (2021)  Installation of an aryl boronic acid function into the external section of N-aryl-oxazolidinones: Synthesis and antimicrobial evaluation.,  211  [PMID:33223262] [10.1016/j.ejmech.2020.113002]

Source

Source(1):

• Scientific Literature