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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL87717
CHEMBL87717
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24FNO2

Additional synonyms for CHEMBL87717 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)C2CCN(CCC3Cc4ccccc4C3=O)CC2
Standard InChI InChI=1S/C23H24FNO2/c24-20-7-5-16(6-8-20)22(26)17-9-12-25(13 ...
Download InChI
Standard InChI Key AVNSTIVMFUJDDN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL87717

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
365.5 365.1791 4.17 5 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
- 8.3 3.47 2.52 2 27 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL87717. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AVNSTIVMFUJDDN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL87717



BindingDB 50409497
Nikkaji J554.247B
PubChem 9951008
PubChem: Thomson Pharma 14926209

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