(R)-4-Acetyl-N-((3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)-benzenesulfonamide

ID: ALA2337829

PubChem CID: 71652732

Max Phase: Preclinical

Molecular Formula: C22H24FN3O6S

Molecular Weight: 477.51

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(=O)c1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1

Standard InChI:  InChI=1S/C22H24FN3O6S/c1-15(27)16-2-5-19(6-3-16)33(29,30)24-13-18-14-26(22(28)32-18)17-4-7-21(20(23)12-17)25-8-10-31-11-9-25/h2-7,12,18,24H,8-11,13-14H2,1H3/t18-/m0/s1

Standard InChI Key:  YCAXKBRQGWMJSE-SFHVURJKSA-N

Molfile:  

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M  END

Associated Targets(non-human)

Raoultella planticola (618 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Micrococcus luteus (7463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus (1598 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 477.51Molecular Weight (Monoisotopic): 477.1370AlogP: 2.17#Rotatable Bonds: 7
Polar Surface Area: 105.25Molecular Species: NEUTRALHBA: 7HBD: 1
#RO5 Violations: HBA (Lipinski): 9HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: 9.84CX Basic pKa: CX LogP: 1.80CX LogD: 1.80
Aromatic Rings: 2Heavy Atoms: 33QED Weighted: 0.61Np Likeness Score: -1.80

References

1. Kamal A, Swapna P, Shetti RV, Shaik AB, Narasimha Rao MP, Gupta S..  (2013)  Synthesis, biological evaluation of new oxazolidino-sulfonamides as potential antimicrobial agents.,  62  [PMID:23434639] [10.1016/j.ejmech.2013.01.034]

Source