ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420798
CHEMBL2420798
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13NO4

Additional synonyms for CHEMBL2420798 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1C2=CC(=O)Nc3cc4OCOc4cc23
Standard InChI InChI=1S/C17H13NO4/c1-20-14-5-3-2-4-10(14)11-7-17(19)18-13-8 ...
Download InChI
Standard InChI Key WOZAMDLTLYDIOY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420798

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
295.3 295.0845 2.93 2 60.55 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
11.24 .91 4.05 4.05 3 22 0.79

Structural Alerts

There are no structural alerts for CHEMBL2420798

Compound Cross References

ChemSpider ChemSpider:WOZAMDLTLYDIOY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420798



PubChem 71770036
ZINC ZINC000096915484

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