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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL263083
CHEMBL263083
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H13BrClNO2

Additional synonyms for CHEMBL263083 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.C[C@H](N)Cc1c2occc2c(Br)c3occc13
Standard InChI InChI=1S/C13H12BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9- ...
Download InChI
Standard InChI Key YDIDKNSMQNPNFC-FJXQXJEOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL263083

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
294.1 293.0051 2.99 2 52.3 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 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 CHEMBL263083. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YDIDKNSMQNPNFC-FJXQXJEOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL263083



PubChem 10496687 49795901
PubChem: Thomson Pharma 15521566

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