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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL188031
CHEMBL188031
Compound Name
ChEMBL Synonyms JWH-250
Max Phase 0
Trade Names
Molecular Formula C22H25NO2

Additional synonyms for CHEMBL188031 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCn1cc(C(=O)Cc2ccccc2OC)c3ccccc13
Standard InChI InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)2 ...
Download InChI
Standard InChI Key FFLSJIQJQKDDCM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL188031

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
335.4 335.1885 5.54 8 31.23 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.63 5.63 3 25 0.4

Structural Alerts

There are 2 structural alerts for CHEMBL188031. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FFLSJIQJQKDDCM-UHFFFAOYSA-N
Wikipedia JWH-250

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL188031



BindingDB 50170335
eMolecules 30497500
EPA CompTox Dashboard DTXSID40235556
FDA SRS IP9911R8A0
MolPort MolPort-009-019-586
Nikkaji J2.884.535I
PubChem 44397540
PubChem: Thomson Pharma 163438137
SureChEMBL SCHEMBL11983322
ZINC ZINC000028465020

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