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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL104362
CHEMBL104362
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16BrNO2

Additional synonyms for CHEMBL104362 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CC(C)N)cc(OC)c1Br
Standard InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-9(14-2)11(12)10(6-8)15-3/ ...
Download InChI
Standard InChI Key FAVLJTSHWBEOMA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL104362

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
274.2 273.0364 2.35 4 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.48 2.59 .54 1 15 0.92

Structural Alerts

There are 2 structural alerts for CHEMBL104362. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FAVLJTSHWBEOMA-UHFFFAOYSA-N
Wikipedia 4-Bromo-3,5-dimethoxyamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL104362



BindingDB 50091066
EPA CompTox Dashboard DTXSID30276857
PubChem 208044
SureChEMBL SCHEMBL5300674

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