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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL338733
CHEMBL338733
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H31NO

Additional synonyms for CHEMBL338733 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CC1CCN(Cc2ccccc2)CC1)OC(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C27H31NO/c1-4-10-24(11-5-1)22-28-19-16-23(17-20-28) ...
Download InChI
Standard InChI Key WRSJONWBAYSODC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL338733

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
385.5 385.2406 5.91 8 12.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.85 6.12 4.66 3 29 0.48

Structural Alerts

There are no structural alerts for CHEMBL338733

Compound Cross References

ChemSpider ChemSpider:WRSJONWBAYSODC-UHFFFAOYSA-N
Wikipedia 1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL338733



BindingDB 50049362
EPA CompTox Dashboard DTXSID80433271
IBM Patent System 12578BD4C89F8D520A8498E10FBF1769
Nikkaji J728.069F
PubChem 9952105
PubChem: Thomson Pharma 14927412
SureChEMBL SCHEMBL1239701

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