ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1719805
CHEMBL1719805
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H17F3N2O4S

Additional synonyms for CHEMBL1719805 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(NC(=O)\C=C\c2ccc(cc2)S(=O)(=O)N3CCOCC3)c(F)c1F
Standard InChI InChI=1S/C19H17F3N2O4S/c20-15-6-7-16(19(22)18(15)21)23-17(25 ...
Download InChI
Standard InChI Key UBUXHEKDKYNPHU-FPYGCLRLSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1719805

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
426.4 426.0861 2.78 5 75.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10 - 2.92 2.92 2 29 0.59

Structural Alerts

There are 6 structural alerts for CHEMBL1719805. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UBUXHEKDKYNPHU-FPYGCLRLSA-N
PubChem SID: 85270675

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1719805



eMolecules 26080509
PubChem 2678770

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