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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL168478
CHEMBL168478
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H23NO5

Additional synonyms for CHEMBL168478 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@@H](O)C1
Standard InChI InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-10(11(16)18-4)8-5-6 ...
Download InChI
Standard InChI Key SVURYPUFUJFXIV-IVZWLZJFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL168478

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
273.3 273.1576 1.21 3 84.86 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.09 - .93 .93 0 19 0.76

Structural Alerts

There are 4 structural alerts for CHEMBL168478. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SVURYPUFUJFXIV-IVZWLZJFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL168478



PubChem 44381735
ZINC ZINC000027983731

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