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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

Structural Alerts

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

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL188031



BindinDB 50170335
eMolecules 30497500
FDA SRS IP9911R8A0
MolPort MolPort-009-019-586
PubChem 44397540
PubChem: Thomson Pharma 163438137
SureChEMBL SCHEMBL11983322
ZINC ZINC28465020

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