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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2424847
CHEMBL2424847
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11N3O5

Additional synonyms for CHEMBL2424847 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1cccc2C(=O)C(=O)N(CC(=O)Nc3ccccc3)c12
Standard InChI InChI=1S/C16H11N3O5/c20-13(17-10-5-2-1-3-6-10)9-18-14-11(15( ...
Download InChI
Standard InChI Key VZOCJTNOHRQQRO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2424847

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
325.3 325.0699 1.76 4 109.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.94 .33 1.03 1.03 2 24 0.52

Structural Alerts

There are 7 structural alerts for CHEMBL2424847. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VZOCJTNOHRQQRO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2424847



PubChem 73355268
ZINC ZINC000096934398

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