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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL161927
CHEMBL161927
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H26FNO2

Additional synonyms for CHEMBL161927 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(cc1)C23CCC(C2)N(CCCC(=O)c4ccc(F)cc4)CC3
Standard InChI InChI=1S/C23H26FNO2/c24-19-7-3-17(4-8-19)22(27)2-1-14-25-15- ...
Download InChI
Standard InChI Key RJXSEJFTARFUGN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL161927

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
367.5 367.1948 4.69 6 40.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.79 10.07 4.04 1.69 2 27 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL161927. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RJXSEJFTARFUGN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL161927



PubChem 44376447

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