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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3261988
CHEMBL3261988
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H26Br2N6O4

Additional synonyms for CHEMBL3261988 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].O\N=C/C(=O)Nc1ccc[n+](CCCCCC[n+]2cccc(NC(=O)\C=N ...
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Standard InChI InChI=1S/C20H24N6O4.2BrH/c27-19(13-21-29)23-17-7-5-11-25(15- ...
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Standard InChI Key WYVOASNHOBUIAK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3261988

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
414.5 414.2005 1.32 11 131.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.65 - -5.37 -4.82 2 30 0.15

Structural Alerts

There are 13 structural alerts for CHEMBL3261988. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WYVOASNHOBUIAK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3261988



BindingDB 50013122
PubChem 78319303 90656253

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