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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL563423
CHEMBL563423
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H8ClF3N2O

Additional synonyms for CHEMBL563423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1Cl
Standard InChI InChI=1S/C13H8ClF3N2O/c14-10-5-4-8(7-9(10)13(15,16)17)19-12( ...
Download InChI
Standard InChI Key IPJHLASKULRGRM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL563423

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
300.7 300.0277 4.01 2 41.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.49 2.28 3.5 3.5 2 20 0.91

Structural Alerts

There are 1 structural alerts for CHEMBL563423. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IPJHLASKULRGRM-UHFFFAOYSA-N
PubChem SID: 85240653

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL563423



BindingDB 50293741
Mcule MCULE-4976673032
PubChem 8403638
PubChem: Thomson Pharma 85186897

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