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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1743679
CHEMBL1743679
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H78Br8N8O7

Additional synonyms for CHEMBL1743679 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.O.O.O.O.Br.Br.Br.Br.Br.Br.Br.Br.CC(=O)O.C(N1CCCNCCNCCCNCC1 ...
Download SMILES
Standard InChI InChI=1S/C32H56N8.C2H4O2.8BrH.5H2O/c1-9-33-15-17-35-13-3-21- ...
Download InChI
Standard InChI Key CALHLRNJMFSUSO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1743679

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
552.9 552.4628 1.57 4 78.66 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 2 8 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.6 .38 -5.68 2 40 0.34

Structural Alerts

There are 2 structural alerts for CHEMBL1743679. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CALHLRNJMFSUSO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1743679



PubChem 54581764

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