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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1917282
CHEMBL1917282
Compound Name DOTRIACONTANOIC ACID
ChEMBL Synonyms Dotriacontanoic Acid
Max Phase 0
Trade Names
Molecular Formula C32H64O2

Additional synonyms for CHEMBL1917282 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key ICAIHSUWWZJGHD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1917282

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
480.9 480.4906 11.79 30 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 - 14.96 12.37 0 34 0.1

Structural Alerts

There are 9 structural alerts for CHEMBL1917282. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ICAIHSUWWZJGHD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1917282



ACToR 3625-52-3
BindingDB 50357391
ChEBI 76215
EPA CompTox Dashboard DTXSID30189791
FDA SRS PB0234915O
IBM Patent System 9F4BFBA26FA573E3A222199B24F8B326
LipidMaps LMFA01010032
Metabolights MTBLC76215
Nikkaji J13.635B
PubChem 19255
PubChem: Thomson Pharma 16605842
SureChEMBL SCHEMBL196790

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