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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109548
CHEMBL109548
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H22FNO2

Additional synonyms for CHEMBL109548 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)C2CCN(CC3CC(=O)c4ccccc34)CC2
Standard InChI InChI=1S/C22H22FNO2/c23-18-7-5-15(6-8-18)22(26)16-9-11-24(12 ...
Download InChI
Standard InChI Key GMDLSAWBJALPNC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109548

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
351.4 351.1635 4.09 4 37.38 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.79 3.71 3.17 2 26 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL109548. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GMDLSAWBJALPNC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109548



BindingDB 50409499
Nikkaji J978.544B
PubChem 44326982

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