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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55267
CHEMBL55267
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H36O5

Additional synonyms for CHEMBL55267 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
Standard InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-1 ...
Download InChI
Standard InChI Key ZQBULZYTDGUSSK-KRWDZBQOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL55267

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
344.5 344.2563 4.15 16 72.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.7 - 5.67 5.67 0 24 0.34

Structural Alerts

There are 7 structural alerts for CHEMBL55267. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZQBULZYTDGUSSK-KRWDZBQOSA-N
PubChem SID: 26754904

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55267



ACToR 60514-48-9
BindingDB 50015677
Brenda 114440 34472 120886 12275
ChEBI 76979
eMolecules 506921
Guide to Pharmacology 2435
Human Metabolome Database HMDB0116368
IBM Patent System 2F451808CBE81EF323621C35521F3C54
Metabolights MTBLC76979
MolPort MolPort-003-932-510
Nikkaji J429.012G
PubChem 148879
PubChem: Thomson Pharma 56268605
Rhea 76979
SureChEMBL SCHEMBL466152
ZINC ZINC000008214428

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