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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615814
CHEMBL1615814
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H56O60S13

Additional synonyms for CHEMBL1615814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCc1ccc(CO[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@ ...
Download SMILES
Standard InChI InChI=1S/C35H56O60S13/c1-2-3-4-14-5-7-15(8-6-14)9-75-32-28(2 ...
Download InChI
Standard InChI Key SWIQMDRPSXMESL-IAYASBFJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1615814

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
1853.6 1851.77 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1615814

Compound Cross References

ChemSpider ChemSpider:SWIQMDRPSXMESL-IAYASBFJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615814



PubChem 45103698

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