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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1083668
CHEMBL1083668
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H25NO3

Additional synonyms for CHEMBL1083668 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)c1ccccc1OCC(O)CN2CCOCC2
Standard InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-1 ...
Download InChI
Standard InChI Key OFEYQVJHAZFCJS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1083668

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
279.4 279.1834 2.32 6 41.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.97 6.46 1.97 1.93 1 20 0.87

Structural Alerts

There are no structural alerts for CHEMBL1083668

Compound Cross References

ChemSpider ChemSpider:OFEYQVJHAZFCJS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1083668



BindingDB 50318979
eMolecules 15312505
Mcule MCULE-3969313713
PubChem 4080436

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