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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

Structural Alerts

There are no structural alerts for CHEMBL6330

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

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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