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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3121479
CHEMBL3121479
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H48Br2N4O4

Additional synonyms for CHEMBL3121479 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN2C ...
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Standard InChI InChI=1S/C34H48N4O4.2BrH/c1-37(2,24-11-12-26-41-31-20-27-42- ...
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Standard InChI Key JUXPEUQOIOVJGS-UHFFFAOYSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3121479

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
576.8 576.3665 5.07 15 68.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 8 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -2.4 -2.4 2 42 0.13

Structural Alerts

There are 12 structural alerts for CHEMBL3121479. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUXPEUQOIOVJGS-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3121479



PubChem 60138187

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