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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8301
CHEMBL8301
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16N2O4

Additional synonyms for CHEMBL8301 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(c(OC)cc1CC(C)N)[N+](=O)[O-]
Standard InChI InChI=1S/C11H16N2O4/c1-7(12)4-8-5-11(17-3)9(13(14)15)6-10(8) ...
Download InChI
Standard InChI Key JQJRESSXOVAECC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8301

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
240.3 240.111 1.5 5 90.3 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.86 1.8 .34 1 17 0.62

Structural Alerts

There are 4 structural alerts for CHEMBL8301. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JQJRESSXOVAECC-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-nitroamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8301



ACToR 67460-68-8
BindingDB 50014996
PubChem 105432
PubChem: Thomson Pharma 15121905
SureChEMBL SCHEMBL1044696

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