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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3139878
CHEMBL3139878
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H34O2

Additional synonyms for CHEMBL3139878 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCC\C=C/CCCCC(=O)O
Standard InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key CNVZJPUDSLNTQU-SEYXRHQNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3139878

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
282.5 282.2559 6.11 15 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
4.75 - 7.48 4.86 0 20 0.29

Structural Alerts

There are 10 structural alerts for CHEMBL3139878. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CNVZJPUDSLNTQU-SEYXRHQNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3139878



ACToR 593-39-5
Brenda 149202 175890
ChEBI 28194
eMolecules 593862
FDA SRS 3A10DOC461
KEGG Ligand C08363
LipidMaps LMFA01030066
Metabolights MTBLC28194
MolPort MolPort-003-959-363
Nikkaji J13.804E
PubChem 5281125
PubChem: Thomson Pharma 14775388
SureChEMBL SCHEMBL93332
ZINC ZINC000008221028

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