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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490167
CHEMBL1490167
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14FNO3

Additional synonyms for CHEMBL1490167 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccc(cc1)C(=O)OCc2ccc(F)cc2
Standard InChI InChI=1S/C16H14FNO3/c1-11(19)18-15-8-4-13(5-9-15)16(20)21-10 ...
Download InChI
Standard InChI Key CBRQBACWFZYJST-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490167

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
287.3 287.0958 3.14 4 55.4 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
- - 3.19 3.19 2 21 0.88

Structural Alerts

There are 1 structural alerts for CHEMBL1490167. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CBRQBACWFZYJST-UHFFFAOYSA-N
PubChem SID: 24789085

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490167



eMolecules 2262933
Mcule MCULE-6078219459
MolPort MolPort-002-093-687
PubChem 974932
ZINC ZINC000000616124

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