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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3265294
CHEMBL3265294
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H19NO5S2

Additional synonyms for CHEMBL3265294 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)c3ccccc3)c4ccccc4c1O
Standard InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20( ...
Download InChI
Standard InChI Key WDSIRVXGKDXLAU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3265294

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
465.6 465.0705 5.19 7 103.7 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.41 - 5.1 1.36 4 32 0.26

Structural Alerts

There are 3 structural alerts for CHEMBL3265294. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDSIRVXGKDXLAU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3265294



BindingDB 50013862
IBM Patent System B79476F0DA93048AE54702F01BD51005
PubChem 44609307
PubChem: Thomson Pharma 87459167
SureChEMBL SCHEMBL2239398
ZINC ZINC000118399374

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