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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6710
CHEMBL6710
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H17BrClNO2

Additional synonyms for CHEMBL6710 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.C[C@@H](N)Cc1c2CCOc2c(Br)c3CCOc13
Standard InChI InChI=1S/C13H16BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9- ...
Download InChI
Standard InChI Key OOXVNBHFUWKZMY-OGFXRTJISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6710

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
298.2 297.0364 2.5 2 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
- 9.49 2.5 .44 1 17 0.91

Structural Alerts

There are 2 structural alerts for CHEMBL6710. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OOXVNBHFUWKZMY-OGFXRTJISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6710



PubChem 49795903 10568770
PubChem: Thomson Pharma 15596740

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