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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL365878
CHEMBL365878
Compound Name
ChEMBL Synonyms JWH-167
Max Phase 0
Trade Names
Molecular Formula C21H23NO

Additional synonyms for CHEMBL365878 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCn1cc(C(=O)Cc2ccccc2)c3ccccc13
Standard InChI InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22 ...
Download InChI
Standard InChI Key AMCPOEOUXQWESI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL365878

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
305.4 305.178 5.55 7 22 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.59 5.59 3 23 0.41

Structural Alerts

There are 2 structural alerts for CHEMBL365878. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AMCPOEOUXQWESI-UHFFFAOYSA-N
Wikipedia JWH-167

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL365878



BindingDB 50170338
EPA CompTox Dashboard DTXSID20235554
FDA SRS LQX1W3537N
PubChem 44397502
ZINC ZINC000028460304

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