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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL522570
CHEMBL522570
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H35NO14

Additional synonyms for CHEMBL522570 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@@H]( ...
Download SMILES
Standard InChI InChI=1S/C19H35NO14/c21-2-1-6-16(10(25)7(3-22)20-6)33-19-15( ...
Download InChI
Standard InChI Key VQRBHGFKZAPWHE-LTHFBJLESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL522570

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
501.5 501.2058 -6.93 9 251.25 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
15 11 3 15 11 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.69 8.73 -2.69 -4.04 0 34 0.14

Structural Alerts

There are 2 structural alerts for CHEMBL522570. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VQRBHGFKZAPWHE-LTHFBJLESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL522570



BindingDB 50278882
Nikkaji J1.854.314A
PubChem 10391299
PubChem: Thomson Pharma 15406941
ZINC ZINC000042889350

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