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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1307711
CHEMBL1307711
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14FNO3S

Additional synonyms for CHEMBL1307711 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F
Standard InChI InChI=1S/C15H14FNO3S/c1-21(19,20)13-8-6-11(7-9-13)15(18)17-1 ...
Download InChI
Standard InChI Key GXFIVUPZTJVBSF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1307711

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 2.16 4 63.24 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
12.64 - 1.48 1.48 2 21 0.94

Structural Alerts

There are no structural alerts for CHEMBL1307711

Compound Cross References

ChemSpider ChemSpider:GXFIVUPZTJVBSF-UHFFFAOYSA-N
PubChem SID: 24831245

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1307711



eMolecules 3338309
Mcule MCULE-7837652705
MolPort MolPort-004-069-202
PubChem 2438721
ZINC ZINC000003323247

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