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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1376
CHEMBL1376
Compound Name SULINDAC SULFOXIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H17FO3S

Additional synonyms for CHEMBL1376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[S+]([O-])c1ccc(\C=C\2/C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1
Standard InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8 ...
Download InChI
Standard InChI Key MLKXDPUZXIRXEP-RQZCQDPDSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1376

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
356.4 356.0882 4.37 4 54.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.26 - 2.55 -.49 2 25 0.89

Structural Alerts

There are 7 structural alerts for CHEMBL1376. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MLKXDPUZXIRXEP-RQZCQDPDSA-N
PubChem SID: 50086572

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1376



BindingDB 54707
MolPort MolPort-002-507-760
Nikkaji J278.221I J279.593K
PubChem 1548885
PubChem: Thomson Pharma 14754538
SureChEMBL SCHEMBL755984

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