ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607023
CHEMBL607023
Compound Name TEMPOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H18NO2

Additional synonyms for CHEMBL607023 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CC(O)CC(C)(C)N1[O]
Standard InChI InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2 ...
Download InChI
Standard InChI Key UZFMOKQJFYMBGY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL607023

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
172.2 172.1338 0.41 0 43.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.15 .63 .63 0 12 0.58

Structural Alerts

There are 1 structural alerts for CHEMBL607023. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UZFMOKQJFYMBGY-UHFFFAOYSA-N
PubChem SID: 144211189 SID: 174006259
Wikipedia 4-Hydroxy-TEMPO

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607023



ACToR 3637-10-3 2226-96-2 105269-77-0
Atlas tempol
eMolecules 485517
EPA CompTox Dashboard DTXSID4041280
FDA SRS U78ZX2F65X
IBM Patent System 414E313D07C8BB27C78D1ADC58A189E7 D940E37223F435FF112B342C0DE848FF
MolPort MolPort-000-156-390
Nikkaji J119.381C
PubChem 137994
PubChem: Thomson Pharma 15321927
Selleck tempol-4-hydroxy-tempo
SureChEMBL SCHEMBL23234
ZINC ZINC000100004133

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