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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1967719
CHEMBL1967719
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H13BrN2O

Additional synonyms for CHEMBL1967719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc(C=CC(=O)Nc2cccc3cnccc23)cc1
Standard InChI InChI=1S/C18H13BrN2O/c19-15-7-4-13(5-8-15)6-9-18(22)21-17-3- ...
Download InChI
Standard InChI Key HEWSYCQXZBBREJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1967719

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
353.2 352.0211 4.65 3 41.99 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.74 4.99 3.73 3.73 3 22 0.7

Structural Alerts

There are 6 structural alerts for CHEMBL1967719. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HEWSYCQXZBBREJ-UHFFFAOYSA-N
PubChem SID: 103905314

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1967719



PubChem 49830899

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