ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160058
CHEMBL160058
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14ClFNO3.Na

Additional synonyms for CHEMBL160058 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].Oc1ccc(F)cc1\C(=N\CCCC(=O)[O-])\c2ccc(Cl)cc2
Standard InChI InChI=1S/C17H15ClFNO3.Na/c18-12-5-3-11(4-6-12)17(20-9-1-2-16 ...
Download InChI
Standard InChI Key IIZZSPOBOIMENB-SJEOTZHBSA-M

Structural Alerts

There are 4 structural alerts for CHEMBL160058. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL160058

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
335.8 335.0724 4.17 6 69.89 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.66 10.43 3.55 .82 2 23 0.61

Compound Cross References

ChemSpider ChemSpider:IIZZSPOBOIMENB-SJEOTZHBSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160058



FDA SRS EQ5EB8KP2H
Nikkaji J23.627F
PubChem: Drugs of the Future 24714860

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IIZZSPOBOIMENB-SJEOTZHBSA-M spacer
spacer