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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL496122
CHEMBL496122
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H20FNO2

Additional synonyms for CHEMBL496122 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1ccc(cc1)c2ccc3c4Cc5cc(ccc5c4[nH]c3c2F)C(=O)O
Standard InChI InChI=1S/C25H20FNO2/c1-2-3-14-4-6-15(7-5-14)18-10-11-20-21-1 ...
Download InChI
Standard InChI Key UPXVSLNEPJUZQB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL496122

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
385.4 385.1478 6.83 4 53.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.3 - 8.05 5.27 4 29 0.4

Structural Alerts

There are no structural alerts for CHEMBL496122

Compound Cross References

ChemSpider ChemSpider:UPXVSLNEPJUZQB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL496122



BindingDB 50264951
PubChem 44580319
ZINC ZINC000040957263

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