ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL549220
CHEMBL549220
Compound Name
ChEMBL Synonyms OSM-S-05
Max Phase 0
Trade Names
Molecular Formula C15H15FN2O3

Additional synonyms for CHEMBL549220 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C(=O)OCC(=O)N)c(C)n1c2ccc(F)cc2
Standard InChI InChI=1S/C15H15FN2O3/c1-9-7-13(15(20)21-8-14(17)19)10(2)18(9 ...
Download InChI
Standard InChI Key YSUCFIZUNLQZDX-UHFFFAOYSA-N

Sources

  • CO-ADD antimicrobial screening data
  • GSK Malaria Screening
  • Open Source Malaria Screening
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL549220

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
290.3 290.1067 1.91 5 74.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.21 2.21 2 21 0.86

Structural Alerts

There are 2 structural alerts for CHEMBL549220. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YSUCFIZUNLQZDX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL549220



eMolecules 3099947
Mcule MCULE-1344246505
MolPort MolPort-004-019-068
PubChem 2434563
ZINC ZINC000003318813

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YSUCFIZUNLQZDX-UHFFFAOYSA-N spacer
spacer