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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL186254
CHEMBL186254
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H44O2

Additional synonyms for CHEMBL186254 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C3CCC4=CC(=O)CCC4=C13
Standard InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-11-21-19-28(2)25(16-17 ...
Download InChI
Standard InChI Key QPIUHLBKRNGNER-UYNVQHERSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL186254

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
412.7 412.3341 7.31 9 37.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 1 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 8.35 8.35 0 30 0.4

Structural Alerts

There are 11 structural alerts for CHEMBL186254. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QPIUHLBKRNGNER-UYNVQHERSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL186254



BindingDB 50154004
PubChem 44396502

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