ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL355146
CHEMBL355146
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H23NO3

Additional synonyms for CHEMBL355146 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1cc(CCN)cc(OCC)c1OCC
Standard InChI InChI=1S/C14H23NO3/c1-4-16-12-9-11(7-8-15)10-13(17-5-2)14(12 ...
Download InChI
Standard InChI Key ZIZQSXJSBRQJEB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL355146

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
253.3 253.1678 2.38 8 53.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.59 2.06 -.08 1 18 0.77

Structural Alerts

There are no structural alerts for CHEMBL355146

Compound Cross References

ChemSpider ChemSpider:ZIZQSXJSBRQJEB-UHFFFAOYSA-N
Wikipedia Trisescaline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL355146



EPA CompTox Dashboard DTXSID70658557
Nikkaji J273.446J
PubChem 44375115
ZINC ZINC000027759889

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