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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490253
CHEMBL1490253
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14FNO4

Additional synonyms for CHEMBL1490253 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1oc(C)c(c1)C(=O)OCC(=O)Nc2ccc(F)cc2
Standard InChI InChI=1S/C15H14FNO4/c1-9-7-13(10(2)21-9)15(19)20-8-14(18)17- ...
Download InChI
Standard InChI Key RUQNIAMSVQOXIU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490253

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
291.3 291.0907 2.83 4 68.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.51 .4 2.58 2.58 2 21 0.88

Structural Alerts

There are 1 structural alerts for CHEMBL1490253. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RUQNIAMSVQOXIU-UHFFFAOYSA-N
PubChem SID: 3715009

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490253



Mcule MCULE-2583932551
MolPort MolPort-003-250-586
PubChem 2366984
ZINC ZINC000003249879

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