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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1309264
CHEMBL1309264
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14FNO3S

Additional synonyms for CHEMBL1309264 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NC(=O)C[S+]([O-])c2ccc(F)cc2)cc1
Standard InChI InChI=1S/C15H14FNO3S/c1-20-13-6-4-12(5-7-13)17-15(18)10-21(1 ...
Download InChI
Standard InChI Key FOEXXOSQZHPYJW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1309264

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
307.4 307.0678 2.58 5 55.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.88 1.14 2.07 2.07 2 21 0.92

Structural Alerts

There are 5 structural alerts for CHEMBL1309264. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FOEXXOSQZHPYJW-UHFFFAOYSA-N
PubChem SID: 50085785

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1309264



eMolecules 27498655
Mcule MCULE-2407116588
MolPort MolPort-002-879-821
PubChem 1486368

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