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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279566
CHEMBL279566
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H17NO5S

Additional synonyms for CHEMBL279566 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CS)C(=O)N1CC2(C[C@H]1C(=O)O)OCCO2
Standard InChI InChI=1S/C11H17NO5S/c1-7(5-18)9(13)12-6-11(16-2-3-17-11)4-8( ...
Download InChI
Standard InChI Key WZYLTUQKAOLMCA-SFYZADRCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279566

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
275.3 275.0827 -0.02 3 76.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.51 - 3.33 -.14 0 18 0.71

Structural Alerts

There are 6 structural alerts for CHEMBL279566. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WZYLTUQKAOLMCA-SFYZADRCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279566



BindingDB 50405706
PubChem 12821193
ZINC ZINC000028005795

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