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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3122087
CHEMBL3122087
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H29KO2

Additional synonyms for CHEMBL3122087 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-]
Standard InChI InChI=1S/C18H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16- ...
Download InChI
Standard InChI Key FKEDIMSDTKPZNV-IFNWOZJISA-M

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3122087

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
278.4 278.2246 5.66 13 37.3 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 6.52 3.93 0 20 0.35

Structural Alerts

There are 7 structural alerts for CHEMBL3122087. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FKEDIMSDTKPZNV-IFNWOZJISA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3122087



ACToR 38660-45-6
PubChem 23688489
SureChEMBL SCHEMBL106700

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FKEDIMSDTKPZNV-IFNWOZJISA-M spacer
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