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ChEMBL Statistics
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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

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 ACID


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
1.39 - .19 -3.31 2 23 0.61

Structural Alerts

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

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
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