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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL149024
CHEMBL149024
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H12BrNO2

Additional synonyms for CHEMBL149024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1c2occc2c(Br)c3occc13
Standard InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5- ...
Download InChI
Standard InChI Key GIKPTWKWYXCBEC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL149024

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
294.2 293.0051 3.83 2 52.3 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
- 9.04 2.52 .89 3 17 0.78

Structural Alerts

There are 2 structural alerts for CHEMBL149024. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GIKPTWKWYXCBEC-UHFFFAOYSA-N
Wikipedia Bromo-DragonFLY

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL149024



BindingDB 50068612
IBM Patent System B7C11FE68C7843B24B87DFA8894B2662
Nikkaji J2.582.659K
PubChem 9839057
PubChem: Thomson Pharma 14800183
SureChEMBL SCHEMBL2573922

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