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ChEMBL Statistics
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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

Structural Alerts

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

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

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 ZINC03318813

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