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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3261992
CHEMBL3261992
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H22Br2N6O4

Additional synonyms for CHEMBL3261992 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].O\N=C\C(=O)Nc1ccc[n+](Cc2ccc(C[n+]3cccc(NC(=O)\C ...
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Standard InChI InChI=1S/C22H20N6O4.2BrH/c29-21(11-23-31)25-19-3-1-9-27(15-1 ...
Download InChI
Standard InChI Key CLMJAFNZBMMBLT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3261992

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
434.5 434.1692 1.16 8 131.14 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
7.62 - -4.7 -4.12 3 32 0.18

Structural Alerts

There are 9 structural alerts for CHEMBL3261992. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CLMJAFNZBMMBLT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3261992



BindingDB 50013120
PubChem 78319307

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