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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3121476
CHEMBL3121476
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H46Br2N4O4

Additional synonyms for CHEMBL3121476 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/C30H46N4O4.2BrH/c1-33(2,22-13-14-24-37-28-18-25-38- ...
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Standard InChI Key OHRQLLDJJMTURM-UHFFFAOYSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3121476

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
526.7 526.3508 3.92 15 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
- - -2.9 -2.9 1 38 0.15

Structural Alerts

There are 11 structural alerts for CHEMBL3121476. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OHRQLLDJJMTURM-UHFFFAOYSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3121476



PubChem 60138189

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