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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1951714
CHEMBL1951714
Compound Name
ChEMBL Synonyms Octacosan-1-ol
Max Phase 0
Trade Names
Molecular Formula C28H58O

Additional synonyms for CHEMBL1951714 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Standard InChI InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17- ...
Download InChI
Standard InChI Key CNNRPFQICPFDPO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1951714

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
410.8 410.4488 10.14 26 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 13.07 13.07 0 29 0.14

Structural Alerts

There are 9 structural alerts for CHEMBL1951714. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CNNRPFQICPFDPO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1951714



ACToR 557-61-9
Brenda 163817
ChEBI 28243
ChemicalBook CB0783336
DrugBank DB11220
DrugCentral 4668
eMolecules 592929
EPA CompTox Dashboard DTXSID1025803
FDA SRS 81I2215OVK
Human Metabolome Database HMDB0034380
IBM Patent System 907DB910BDE9174848787E6FA665F8EE
KEGG Ligand C08387
LipidMaps LMFA05000003
Mcule MCULE-9110589327
Metabolights MTBLC28243
MolPort MolPort-003-959-077
Nikkaji J10.708E
PDBe O8N
PubChem 68406
PubChem: Thomson Pharma 14855345
SureChEMBL SCHEMBL16043
ZINC ZINC000008221075

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