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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63465
CHEMBL63465
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H17NO6

Additional synonyms for CHEMBL63465 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)OC1OC(=CC(O)C1NC(=O)C)C(=O)O
Standard InChI InChI=1S/C11H17NO6/c1-5(2)17-11-9(12-6(3)13)7(14)4-8(18-11)1 ...
Download InChI
Standard InChI Key QWEIYNCSFWAONZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL63465

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
259.3 259.1056 -0.4 4 105.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.79 - .34 -3.13 0 18 0.63

Structural Alerts

There are 2 structural alerts for CHEMBL63465. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QWEIYNCSFWAONZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63465



PubChem 44305232

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