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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152225
CHEMBL152225
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H18O2Se

Additional synonyms for CHEMBL152225 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC[Se](=O)CC(=O)C
Standard InChI InChI=1S/C9H18O2Se/c1-3-4-5-6-7-12(11)8-9(2)10/h3-8H2,1-2H3
Standard InChI Key ATYSQAZWBVZWSB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL152225

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
237.2 238.0472 - - - -


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 CHEMBL152225

Compound Cross References

ChemSpider ChemSpider:ATYSQAZWBVZWSB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152225



BindingDB 50409666
PubChem 44368495

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