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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1732797
CHEMBL1732797
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19ClO6S

Additional synonyms for CHEMBL1732797 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(OC)c(c1)S(=O)(=O)CC(O)COc2ccccc2Cl
Standard InChI InChI=1S/C17H19ClO6S/c1-22-13-7-8-16(23-2)17(9-13)25(20,21)1 ...
Download InChI
Standard InChI Key UFXYFSXEQZFLDV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1732797

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
386.9 386.0591 2.57 8 82.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.53 - 3.17 3.17 2 25 0.75

Structural Alerts

There are no structural alerts for CHEMBL1732797

Compound Cross References

ChemSpider ChemSpider:UFXYFSXEQZFLDV-UHFFFAOYSA-N
PubChem SID: 50085556

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1732797



eMolecules 5783739
Mcule MCULE-4205294190
MolPort MolPort-002-912-828
PubChem 2725789

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