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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333419
CHEMBL2333419
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H5F4NO4S2

Additional synonyms for CHEMBL2333419 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1c(F)c(F)c(SCC(=O)O)c(F)c1F
Standard InChI InChI=1S/C8H5F4NO4S2/c9-3-5(11)8(19(13,16)17)6(12)4(10)7(3)1 ...
Download InChI
Standard InChI Key GIYUNGDCOATLAT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333419

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
319.3 318.9596 1.07 4 97.46 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.04 - .57 -3.18 1 19 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL2333419. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GIYUNGDCOATLAT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333419



BindingDB 50429921
PubChem 71584200
PubChem: Thomson Pharma 163636319
SureChEMBL SCHEMBL15648057
ZINC ZINC000095590297

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