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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1209648
CHEMBL1209648
Compound Name
ChEMBL Synonyms 1-Azoniabicyclo[2.2.2]Octane
Max Phase 0
Trade Names
Molecular Formula C7H13N

Additional synonyms for CHEMBL1209648 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN2CCC1CC2
Standard InChI InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2
Standard InChI Key SBYHFKPVCBCYGV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1209648

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
111.2 111.1048 1.1 0 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.87 1.36 -1.58 0 8 0.45

Structural Alerts

There are no structural alerts for CHEMBL1209648

Compound Cross References

ChemSpider ChemSpider:SBYHFKPVCBCYGV-UHFFFAOYSA-N
PubChem SID: 170466683
Wikipedia Quinuclidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1209648



ACToR 100-76-5
BindingDB 50416495
ChEBI 38420
ChemicalBook CB7199624
eMolecules 487645
EPA CompTox Dashboard DTXSID2057607
FDA SRS XFX99FC5VI
IBM Patent System 466E1E574B42498AE324732A6B49133F
Mcule MCULE-2429311460
MolPort MolPort-002-473-420
Nikkaji J108.948J
NMRShiftDB 10016135
PubChem 7527
PubChem: Thomson Pharma 14769291
SureChEMBL SCHEMBL18960
ZINC ZINC000001486613

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