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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL69294
CHEMBL69294
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H15NO4

Additional synonyms for CHEMBL69294 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1NC(CO)[C@@H](O)[C@@H](O)[C@@H]1O
Standard InChI InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1 ...
Download InChI
Standard InChI Key ZEWFPWKROPWRKE-BMAFSFTCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL69294

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
177.2 177.1001 -2.58 1 92.95 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.79 7.71 -.64 -1.12 0 12 0.3

Structural Alerts

There are no structural alerts for CHEMBL69294

Compound Cross References

ChemSpider ChemSpider:ZEWFPWKROPWRKE-BMAFSFTCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL69294



BindingDB 50072588
PubChem 44309217

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