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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2424918
CHEMBL2424918
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H10BrN3O5

Additional synonyms for CHEMBL2424918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1cn(nn1)C2COC3=C(Br)C(=O)C(=O)c4cccc2c34
Standard InChI InChI=1S/C16H10BrN3O5/c1-24-16(23)9-5-20(19-18-9)10-6-25-15- ...
Download InChI
Standard InChI Key GLUADSVWIHIOMJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2424918

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
404.2 402.9804 1.51 2 100.38 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.38 2.38 2 25 0.55

Structural Alerts

There are 12 structural alerts for CHEMBL2424918. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GLUADSVWIHIOMJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2424918



PubChem 72707922

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