ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3307150
CHEMBL3307150
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO3S

Additional synonyms for CHEMBL3307150 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccc(cn1)[S+]([O-])CCCc2ccccc2
Standard InChI InChI=1S/C15H15NO3S/c17-15(18)14-9-8-13(11-16-14)20(19)10-4- ...
Download InChI
Standard InChI Key DRXGHMFWHSKKFB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3307150

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
289.4 289.0773 2.52 6 67.26 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.33 .09 .79 -2.32 2 20 0.89

Structural Alerts

There are 5 structural alerts for CHEMBL3307150. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DRXGHMFWHSKKFB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3307150



PubChem 12457893

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