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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL340852
CHEMBL340852
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H31FN2O3

Additional synonyms for CHEMBL340852 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)CF
Standard InChI InChI=1S/C25H31FN2O3/c1-18(2)15-22(27-24(30)14-13-19-9-5-3-6 ...
Download InChI
Standard InChI Key JAVBZQAXUMDAIW-KEKNWZKVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL340852

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
426.5 426.2319 3.42 12 75.27 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.14 - 4.25 4.25 2 31 0.55

Structural Alerts

There are 9 structural alerts for CHEMBL340852. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JAVBZQAXUMDAIW-KEKNWZKVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL340852



PubChem 10788571
PubChem: Thomson Pharma 15827384

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