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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1552157
CHEMBL1552157
Compound Name SQUALANE
ChEMBL Synonyms SQUALANE
Max Phase 0
Trade Names
Molecular Formula C30H62

Additional synonyms for CHEMBL1552157 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
Standard InChI InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10- ...
Download InChI
Standard InChI Key PRAKJMSDJKAYCZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1552157

Molecule Features

CHEMBL1552157 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SQUALANE
The Cochrane Collaboration SQUALANE

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
422.8 422.4852 11.08 21 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 0 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 15.06 15.06 0 30 0.16

Structural Alerts

There are 3 structural alerts for CHEMBL1552157. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PRAKJMSDJKAYCZ-UHFFFAOYSA-N
PubChem SID: 144205830 SID: 170465658 SID: 29217734

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1552157



ACToR 111-01-3
ChemicalBook CB8469063
eMolecules 490521
EPA CompTox Dashboard DTXSID0046513
IBM Patent System A67B56D3D2EE088412C6A8F70C92420A
MolPort MolPort-003-928-299
Nikkaji J1.982H
NMRShiftDB 20096456
PubChem 8089
PubChem: Thomson Pharma 14856097
SureChEMBL SCHEMBL15449

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