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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL148296
CHEMBL148296
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H16N2O2

Additional synonyms for CHEMBL148296 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCOC(=O)c1cc2c(c[nH]1)nc3ccccc23
Standard InChI InChI=1S/C16H16N2O2/c1-2-3-8-20-16(19)14-9-12-11-6-4-5-7-13( ...
Download InChI
Standard InChI Key OQMOAWJPUUPVNT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL148296

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
268.3 268.1212 3.92 5 54.98 BASE


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
- 10.27 3.94 1.99 3 20 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL148296. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OQMOAWJPUUPVNT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL148296



ZINC ZINC000100707890

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