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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL593715
CHEMBL593715
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H13NO3

Additional synonyms for CHEMBL593715 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1NC[C@H](O)[C@H](O)[C@H]1O
Standard InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3- ...
Download InChI
Standard InChI Key VYOCYWDJTQRZLC-VANKVMQKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL593715

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
147.2 147.0895 -1.94 0 72.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.93 8.38 -.88 -1.91 0 10 0.32

Structural Alerts

There are no structural alerts for CHEMBL593715

Compound Cross References

ChemSpider ChemSpider:VYOCYWDJTQRZLC-VANKVMQKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL593715



BindingDB 50304626
Nikkaji J716.113A
PubChem 10329420
PubChem: Thomson Pharma 15339310

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