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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1307803
CHEMBL1307803
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13FN2O4S

Additional synonyms for CHEMBL1307803 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1C(=O)NNS(=O)(=O)c2ccc(F)cc2
Standard InChI InChI=1S/C14H13FN2O4S/c1-21-13-5-3-2-4-12(13)14(18)16-17-22( ...
Download InChI
Standard InChI Key KFXJXTMIQWDOBY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1307803

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
324.3 324.058 1.46 5 84.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.5 - 2.12 1.89 2 22 0.82

Structural Alerts

There are 5 structural alerts for CHEMBL1307803. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KFXJXTMIQWDOBY-UHFFFAOYSA-N
PubChem SID: 49644926

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1307803



eMolecules 1227427
Mcule MCULE-5200860547
PubChem 809441
ZINC ZINC000000320597

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