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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1234621
CHEMBL1234621
Compound Name
ChEMBL Synonyms Alpha-Sialoside
Max Phase 0
Trade Names
Molecular Formula C11H19NO9

Additional synonyms for CHEMBL1234621 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C ...
Download SMILES
Standard InChI InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7 ...
Download InChI
Standard InChI Key SQVRNKJHWKZAKO-YRMXFSIDSA-N

Structural Alerts

There are no structural alerts for CHEMBL1234621

Alternate Forms of Compound in ChEMBL


CHEMBL1234621

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
309.3 309.106 -3.36 5 176.78 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 1 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.31 - -1.9 -5.63 0 21 0.27

Compound Cross References

ChemSpider ChemSpider:SQVRNKJHWKZAKO-YRMXFSIDSA-N
Wikipedia Neuraminic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1234621



ChEBI 49026
eMolecules 474793
FDA SRS 04A90EXP8V
Human Metabolome Database HMDB00773
Nikkaji J614.853K
PDBe SIA
PubChem 444885
PubChem: Thomson Pharma 15395566 14776495
SureChEMBL SCHEMBL79085

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