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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6330
CHEMBL6330
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15NO2

Additional synonyms for CHEMBL6330 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1cc(C)c2OCOc2c1
Standard InChI InChI=1S/C11H15NO2/c1-7-3-9(4-8(2)12)5-10-11(7)14-6-13-10/h3 ...
Download InChI
Standard InChI Key OLENSVFSNAULML-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6330

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
193.2 193.1103 1.89 2 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.84 2.12 -.23 1 14 0.78

Structural Alerts

There are no structural alerts for CHEMBL6330

Compound Cross References

ChemSpider ChemSpider:OLENSVFSNAULML-UHFFFAOYSA-N
Wikipedia 5-Methyl-MDA

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6330



BindingDB 50063546
Nikkaji J949.862A
PubChem 10012829
PubChem: Thomson Pharma 14993115
SureChEMBL SCHEMBL12099308

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