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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7634
CHEMBL7634
Compound Name OXOTREMORINE
ChEMBL Synonyms Oxotremorine Sesquifumarate Salt
Max Phase 0
Trade Names
Molecular Formula C12H18N2O

Additional synonyms for CHEMBL7634 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CCCN1CC#CCN2CCCC2
Standard InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-1 ...
Download InChI
Standard InChI Key RSDOPYMFZBJHRL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7634

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
206.3 206.1419 1.03 4 23.55 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.29 1.56 .64 0 15 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL7634. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RSDOPYMFZBJHRL-UHFFFAOYSA-N
PubChem SID: 11111578 SID: 11113735 SID: 26732553 SID: 90341593
Wikipedia Oxotremorine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7634



ACToR 70-22-4
BindingDB 50004665
Brenda 94577
ChEBI 7851
eMolecules 1934017
EPA CompTox Dashboard DTXSID10220252
FDA SRS 5RY0UWH1JL
Guide to Pharmacology 302
IBM Patent System 0E3D7A879852D0FAE88E12A29896AFDB
KEGG Ligand C07485
LINCS LSM-2487
Nikkaji J1.421D
PubChem 4630
PubChem: Thomson Pharma 15121093
SureChEMBL SCHEMBL2128
ZINC ZINC000001530795

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