ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1474517
CHEMBL1474517
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C5H11NO2Se

Additional synonyms for CHEMBL1474517 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[Se]CCC(N)C(=O)O
Standard InChI InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7, ...
Download InChI
Standard InChI Key RJFAYQIBOAGBLC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1474517

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
196.1 196.9955 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL1474517

Compound Cross References

ChemSpider ChemSpider:RJFAYQIBOAGBLC-UHFFFAOYSA-N
PubChem SID: 144205221 SID: 29215380

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1474517



ACToR 2578-28-1 1464-42-2 13091-98-0
ChEBI 27585
ChemicalBook CB4505790
eMolecules 531440
EPA CompTox Dashboard DTXSID7040609
Human Metabolome Database HMDB0003966
Mcule MCULE-9212969564
Metabolights MTBLC27585
MolPort MolPort-002-045-327
Nikkaji J13.127J
PubChem 15820879 15103
Recon selmeth
SureChEMBL SCHEMBL63321

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