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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308480
CHEMBL308480
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24FNO2

Additional synonyms for CHEMBL308480 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)C2CCN(CC3CC(=O)c4ccccc4C3)CC2
Standard InChI InChI=1S/C23H24FNO2/c24-20-7-5-17(6-8-20)23(27)18-9-11-25(12 ...
Download InChI
Standard InChI Key JFVJCLYJXOVMSI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL308480

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 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
- 8.13 2.83 2.02 2 27 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL308480. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JFVJCLYJXOVMSI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308480



BindingDB 50409510
Nikkaji J420.628B
PubChem 15021876

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