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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3261987
CHEMBL3261987
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H24Br2N6O4

Additional synonyms for CHEMBL3261987 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].O\N=C/C(=O)Nc1ccc[n+](CCCCC[n+]2cccc(NC(=O)\C=N/ ...
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Standard InChI InChI=1S/C19H22N6O4.2BrH/c26-18(12-20-28)22-16-6-4-10-24(14- ...
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Standard InChI Key RVVPFPPJUXHEKB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3261987

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
400.4 400.1848 0.93 10 131.14 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 - -5.48 -4.93 2 29 0.16

Structural Alerts

There are 10 structural alerts for CHEMBL3261987. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RVVPFPPJUXHEKB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3261987



BindingDB 50013133
Brenda 197830
Mcule MCULE-9494094229
PubChem 90656261 18527200

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