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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156289
CHEMBL156289
Compound Name
ChEMBL Synonyms 1,4,7,10,13Pentaoxa-Cyclopentadecane
Max Phase 0
Trade Names
Molecular Formula C10H20O5

Additional synonyms for CHEMBL156289 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1COCCOCCOCCOCCO1
Standard InChI InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1- ...
Download InChI
Standard InChI Key VFTFKUDGYRBSAL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL156289

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
220.3 220.1311 0.08 0 46.15 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.64 -.64 0 15 0.58

Structural Alerts

There are 6 structural alerts for CHEMBL156289. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VFTFKUDGYRBSAL-UHFFFAOYSA-N
Wikipedia 15-Crown-5

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156289



ACToR 168081-57-0 33100-27-5
ChEBI 32401
ChemicalBook CB9707287
eMolecules 483265
EPA CompTox Dashboard DTXSID7067746
IBM Patent System 4A8C674D833866A9A1B1E179A2812DF1
Mcule MCULE-4288354473
MolPort MolPort-001-759-778
Nikkaji J53.730F
PubChem 36336
PubChem: Thomson Pharma 15195940
SureChEMBL SCHEMBL78595
ZINC ZINC000003861363

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