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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3121478
CHEMBL3121478
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H44Br2N4O4

Additional synonyms for CHEMBL3121478 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN2C(= ...
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Standard InChI InChI=1S/C32H44N4O4.2BrH/c1-35(2,22-9-10-24-39-29-18-25-40-3 ...
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Standard InChI Key YQULAJNZLPNTOC-UHFFFAOYSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3121478

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
548.7 548.3352 4.29 13 68.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 8 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -2.82 -2.82 2 40 0.16

Structural Alerts

There are 10 structural alerts for CHEMBL3121478. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YQULAJNZLPNTOC-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3121478



PubChem 60138191

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