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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL56682
CHEMBL56682
Compound Name
ChEMBL Synonyms 2'-fluorodeschloroepibatidine
Max Phase 0
Trade Names
Molecular Formula C11H13FN2

Additional synonyms for CHEMBL56682 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cn1)C2CC3CCC2N3
Standard InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/ ...
Download InChI
Standard InChI Key DCJIJGZSYBOUGL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL56682

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
192.2 192.1063 1.55 1 24.92 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.05 1.54 -.92 1 14 0.68

Structural Alerts

There are 3 structural alerts for CHEMBL56682. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DCJIJGZSYBOUGL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL56682



BindingDB 50100707
IBM Patent System 0BABD106BAABE1F853F3669000301041
PubChem 22468072
SureChEMBL SCHEMBL7663147

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