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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3120178
CHEMBL3120178
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H46Br2N4O4

Additional synonyms for CHEMBL3120178 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].C[N+](C)(CCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN2C( ...
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Standard InChI InChI=1S/C33H46N4O4.2BrH/c1-36(2,23-10-11-25-40-30-19-26-41- ...
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Standard InChI Key SUCBAFTXAJADPO-UHFFFAOYSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3120178

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
562.8 562.3508 4.68 14 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
- - -2.61 -2.61 2 41 0.15

Structural Alerts

There are 11 structural alerts for CHEMBL3120178. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SUCBAFTXAJADPO-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3120178



PubChem 76325355

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