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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1523383
CHEMBL1523383
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H13F6NO2

Additional synonyms for CHEMBL1523383 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Standard InChI InChI=1S/C13H13F6NO2/c1-8(9-5-3-2-4-6-9)20-10(21)7-11(22,12( ...
Download InChI
Standard InChI Key DAEVIZJJMYWLCO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1523383

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
329.2 329.085 3.11 4 49.33 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.02 - 4.39 4.38 1 22 0.83

Structural Alerts

There are 2 structural alerts for CHEMBL1523383. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DAEVIZJJMYWLCO-UHFFFAOYSA-N
PubChem SID: 4261105

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1523383



eMolecules 2250096
Mcule MCULE-2170593726
MolPort MolPort-002-276-947
PubChem 2961838

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