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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL608828
CHEMBL608828
Compound Name (S)-ACECLIDINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H15NO2

Additional synonyms for CHEMBL608828 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@@H]1CN2CCC1CC2
Standard InChI InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6 ...
Download InChI
Standard InChI Key WRJPSSPFHGNBMG-SECBINFHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL608828

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
169.2 169.1103 0.56 2 29.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.22 .26 -1.54 0 12 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL608828. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRJPSSPFHGNBMG-SECBINFHSA-N
PubChem SID: 11113647

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL608828



IBM Patent System 1AB9B37ACE3847860E3CE96DF8550D0F
Nikkaji J521.883G
PubChem 909982
SureChEMBL SCHEMBL9146471
ZINC ZINC000000492792

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