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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL388685
CHEMBL388685
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H10F3NO5S

Additional synonyms for CHEMBL388685 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](C(=O)NO)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
Standard InChI InChI=1S/C10H10F3NO5S/c1-6(9(15)14-16)7-2-4-8(5-3-7)19-20(17 ...
Download InChI
Standard InChI Key AZGLLZCAKWZCBV-ZCFIWIBFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL388685

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
313.3 313.0232 1.52 4 92.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.07 - 1.38 1.37 1 20 0.38

Structural Alerts

There are 15 structural alerts for CHEMBL388685. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AZGLLZCAKWZCBV-ZCFIWIBFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL388685



PubChem 44427718
ZINC ZINC000044086417

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