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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL263056
CHEMBL263056
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16F3NO3S

Additional synonyms for CHEMBL263056 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CN(C1CCCC1)C(=O)c2cccc(c2S)C(F)(F)F
Standard InChI InChI=1S/C15H16F3NO3S/c16-15(17,18)11-7-3-6-10(13(11)23)14(2 ...
Download InChI
Standard InChI Key WXDNZGYVWOUYAC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL263056

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
347.4 347.0803 3.46 4 57.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.69 - 3.64 -1.08 1 23 0.82

Structural Alerts

There are 5 structural alerts for CHEMBL263056. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WXDNZGYVWOUYAC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL263056



BindingDB 50020830
IBM Patent System 39A4D0D1C646E4D224C4F0180389C871
PubChem 13298945
SureChEMBL SCHEMBL7277786
ZINC ZINC000026985593

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