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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2030270
CHEMBL2030270
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13NO5S3

Additional synonyms for CHEMBL2030270 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c3ccccc3c1O
Standard InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10 ...
Download InChI
Standard InChI Key GVAXUAIZKLJWSB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2030270

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
395.5 394.9956 3.58 6 103.7 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.41 - 3.31 -.45 3 25 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL2030270. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GVAXUAIZKLJWSB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2030270



BindingDB 50013839
eMolecules 2213632
IBM Patent System 15AC33F069C6A962C886939A1CBAD6E4
Mcule MCULE-1114821633
PubChem 1582605
PubChem: Thomson Pharma 57578660
SureChEMBL SCHEMBL2244145

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