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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293416
CHEMBL293416
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N2O4

Additional synonyms for CHEMBL293416 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)c2ccccc2C3(CC(=O)NC3=O)C1=O
Standard InChI InChI=1S/C15H14N2O4/c1-2-7-17-12(19)9-5-3-4-6-10(9)15(14(17) ...
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Standard InChI Key NXCFRYAHMSEUNT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293416

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
286.3 286.0954 0.54 2 83.55 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
11.07 - .39 .39 1 21 0.64

Structural Alerts

There are 3 structural alerts for CHEMBL293416. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NXCFRYAHMSEUNT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293416



IBM Patent System 402BD06426F8D18694C61B4F9581CE89
Nikkaji J598.834I
PubChem 10085371
PubChem: Thomson Pharma 15071970
SureChEMBL SCHEMBL9384403

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