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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256000
CHEMBL1256000
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18BrN3O

Additional synonyms for CHEMBL1256000 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1
Standard InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-1 ...
Download InChI
Standard InChI Key ACGFWKUYDZFEMP-ZDUSSCGKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1256000

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
324.2 323.0633 2.66 2 44.37 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.25 9.59 3.54 1.52 1 19 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL1256000. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ACGFWKUYDZFEMP-ZDUSSCGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256000



BindingDB 50417096
PubChem 49780186
PubChem: Thomson Pharma 103052675
ZINC ZINC000064539504

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