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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3103071
CHEMBL3103071
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H74O2

Additional synonyms for CHEMBL3103071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C37H74O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key DEQQJCLFURALOA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3103071

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
551 550.5689 13.74 35 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 2 2 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 17.51 14.92 0 39 0.08

Structural Alerts

There are 9 structural alerts for CHEMBL3103071. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DEQQJCLFURALOA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3103071



EPA CompTox Dashboard DTXSID10415222
IBM Patent System 08863D8DF40058065B451BECDF783ADB
LipidMaps LMFA01010037
PubChem 5282597
SureChEMBL SCHEMBL1471133

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