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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL140717
CHEMBL140717
Compound Name UNIFIRAM
ChEMBL Synonyms Unifiram
Max Phase 0
Trade Names
Molecular Formula C13H15FN2O3S

Additional synonyms for CHEMBL140717 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)S(=O)(=O)N2CCN3C(CCC3=O)C2
Standard InChI InChI=1S/C13H15FN2O3S/c14-10-1-4-12(5-2-10)20(18,19)15-7-8-1 ...
Download InChI
Standard InChI Key SNRTZFZAFBIBJP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL140717

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
298.3 298.0787 0.65 2 66.06 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.65 1.65 1 20 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL140717. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SNRTZFZAFBIBJP-UHFFFAOYSA-N
Wikipedia Unifiram

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL140717



EPA CompTox Dashboard DTXSID00432024
Nikkaji J1.333.634B
PubChem 9861054
PubChem: Thomson Pharma 14825145

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