ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL258333
CHEMBL258333
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H17NO3S

Additional synonyms for CHEMBL258333 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CS
Standard InChI InChI=1S/C17H17NO3S/c19-16(11-22)18-15(17(20)21)10-12-6-8-14 ...
Download InChI
Standard InChI Key OJDOJGWVKJJLMB-HNNXBMFYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL258333

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
315.4 315.0929 2.4 6 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.51 - 1.86 -1.86 2 22 0.72

Structural Alerts

There are 7 structural alerts for CHEMBL258333. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OJDOJGWVKJJLMB-HNNXBMFYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL258333



BindingDB 50411722
Brenda 65092 24681
PubChem 44455047
ZINC ZINC000029128489

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