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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2261064
CHEMBL2261064
Compound Name N-OCTACOSANOIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H56O2

Additional synonyms for CHEMBL2261064 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key UTOPWMOLSKOLTQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2261064

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
424.8 424.428 10.23 26 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 - 12.93 10.33 0 30 0.14

Structural Alerts

There are 9 structural alerts for CHEMBL2261064. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UTOPWMOLSKOLTQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2261064



ACToR 506-48-9
Brenda 164671 195772
ChEBI 31001
eMolecules 494663
EPA CompTox Dashboard DTXSID2075051
FDA SRS 4BKL1A0KJY
Human Metabolome Database HMDB0002348
IBM Patent System 5A279645A9615C8F8EA9B2DD2C05FE14
LipidMaps LMFA01010028
Mcule MCULE-6672401492
Metabolights MTBLC31001
MolPort MolPort-002-485-414
Nikkaji J11.820F
PubChem 10470
PubChem: Thomson Pharma 14856216
SureChEMBL SCHEMBL49866
ZINC ZINC000006920382

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