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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255908
CHEMBL1255908
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17BrN2O2

Additional synonyms for CHEMBL1255908 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1
Standard InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9- ...
Download InChI
Standard InChI Key SLJMPDGIEKZJAU-ZDUSSCGKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1255908

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
325.2 324.0473 3.09 2 41.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.65 8.86 2.14 .83 1 19 0.91

Structural Alerts

There are 3 structural alerts for CHEMBL1255908. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SLJMPDGIEKZJAU-ZDUSSCGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255908



BindingDB 50417102
PubChem 49780184
PubChem: Thomson Pharma 103052673
ZINC ZINC000013911056

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