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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL364820
CHEMBL364820
Compound Name
ChEMBL Synonyms JWH-251
Max Phase 0
Trade Names
Molecular Formula C22H25NO

Additional synonyms for CHEMBL364820 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCn1cc(C(=O)Cc2ccccc2C)c3ccccc13
Standard InChI InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23 ...
Download InChI
Standard InChI Key YBIPNGRKUAVSBG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL364820

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
319.4 319.1936 6.04 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
- - 6.05 6.05 3 24 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL364820. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YBIPNGRKUAVSBG-UHFFFAOYSA-N
Wikipedia JWH-251

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL364820



BindingDB 50170339
EPA CompTox Dashboard DTXSID80235555
FDA SRS 55H9NDH32M
IBM Patent System F2F06D5D79877CCC395B85B067835D6B
Nikkaji J2.884.536G
PubChem 11616723
PubChem: Thomson Pharma 16719634
SureChEMBL SCHEMBL2473611
ZINC ZINC000028463005

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