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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL136284
CHEMBL136284
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H38Br2N2O4

Additional synonyms for CHEMBL136284 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc2cccc(O ...
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Standard InChI InChI=1S/C24H36N2O4.2BrH/c1-25(2,17-19-11-9-13-21(27)23(19)2 ...
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Standard InChI Key USICBHXHIFVPQM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL136284

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
418.6 418.2821 3.92 11 80.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.87 - -4.41 -3.95 2 30 0.25

Structural Alerts

There are 14 structural alerts for CHEMBL136284. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:USICBHXHIFVPQM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL136284



ACToR 159662-70-1
PubChem 204060
PubChem: Thomson Pharma 16865680

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