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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL541754
CHEMBL541754
Compound Name
ChEMBL Synonyms N-(3-(Difluoromethoxy)Phenyl)Picolinamide
Max Phase 0
Trade Names
Molecular Formula C13H10F2N2O2

Additional synonyms for CHEMBL541754 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Standard InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18) ...
Download InChI
Standard InChI Key DVMQKRGCWAAYQR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL541754

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
264.2 264.071 2.94 4 51.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.28 2.36 2.59 2.59 2 19 0.92

Structural Alerts

There are no structural alerts for CHEMBL541754

Compound Cross References

ChemSpider ChemSpider:DVMQKRGCWAAYQR-UHFFFAOYSA-N
PubChem SID: 85240647

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL541754



BindingDB 50293720
PubChem 44189740
PubChem: Thomson Pharma 85186891

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