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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1865841
CHEMBL1865841
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H34O2

Additional synonyms for CHEMBL1865841 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O
Standard InChI InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key UNSRRHDPHVZAHH-YOILPLPUSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1865841

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
306.5 306.2559 6.44 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 - 7.49 4.87 0 22 0.28

Structural Alerts

There are 7 structural alerts for CHEMBL1865841. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UNSRRHDPHVZAHH-YOILPLPUSA-N
PubChem SID: 26754930

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1865841



Brenda 20032 29581
ChEBI 72865
eMolecules 538112
FDA SRS JQS194YH3X
Human Metabolome Database HMDB0010378
LINCS LSM-43045
LipidMaps LMFA01030381
MolPort MolPort-003-941-300
PubChem 5312531
PubChem: Thomson Pharma 14800748
SureChEMBL SCHEMBL842264
ZINC ZINC000008860488

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