ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL47650
CHEMBL47650
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24FNO3

Additional synonyms for CHEMBL47650 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c3ccccc3)c4ccc(CF)cc4
Standard InChI InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3 ...
Download InChI
Standard InChI Key WYNSCFORRAXQPA-IAXKEJLGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL47650

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
369.4 369.174 3.03 5 49.77 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.18 8.68 2.62 1.33 2 27 0.82

Structural Alerts

There are 3 structural alerts for CHEMBL47650. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WYNSCFORRAXQPA-IAXKEJLGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL47650



BindingDB 50034873
PubChem 44292486

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