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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL203969
CHEMBL203969
Compound Name
ChEMBL Synonyms L-Fuco-Nojirimycin
Max Phase 0
Trade Names
Molecular Formula C6H13NO4

Additional synonyms for CHEMBL203969 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1NC(O)[C@@H](O)[C@H](O)[C@@H]1O
Standard InChI InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(11)7-2/h2-11H,1H3/t2-, ...
Download InChI
Standard InChI Key XNAOURWCCAEPNE-DHVFOXMCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL203969

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
163.2 163.0845 -2.62 0 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
13.59 7.26 -.45 -.56 0 11 0.27

Structural Alerts

There are no structural alerts for CHEMBL203969

Compound Cross References

ChemSpider ChemSpider:XNAOURWCCAEPNE-DHVFOXMCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL203969



BindingDB 50179481
Brenda 66267
PubChem 44408338

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