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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL124969
CHEMBL124969
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H21NO4

Additional synonyms for CHEMBL124969 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CC(C)N)c(OC)c(OC)c1OC
Standard InChI InChI=1S/C13H21NO4/c1-8(14)6-9-7-10(15-2)12(17-4)13(18-5)11( ...
Download InChI
Standard InChI Key WVNJEHORYAZBRZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL124969

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
255.3 255.1471 1.57 6 62.94 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.37 .39 -1.55 1 18 0.84

Structural Alerts

There are 2 structural alerts for CHEMBL124969. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WVNJEHORYAZBRZ-UHFFFAOYSA-N
Wikipedia 2,3,4,5-Tetramethoxyamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124969



Nikkaji J273.473G
PubChem 44350147
SureChEMBL SCHEMBL5461762

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