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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293399
CHEMBL293399
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H19NO2

Additional synonyms for CHEMBL293399 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C)cc(OC)c1CC(C)N
Standard InChI InChI=1S/C12H19NO2/c1-8-5-11(14-3)10(7-9(2)13)12(6-8)15-4/h5 ...
Download InChI
Standard InChI Key CFFJUEYUTHKVMQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293399

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
209.3 209.1416 2.09 4 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
- 9.77 2.55 .26 1 15 0.83

Structural Alerts

There are no structural alerts for CHEMBL293399

Compound Cross References

ChemSpider ChemSpider:CFFJUEYUTHKVMQ-UHFFFAOYSA-N
Wikipedia Psi-DOM

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293399



BindingDB 50115832
EPA CompTox Dashboard DTXSID20548454
Nikkaji J1.017.132F
PubChem 13753734
PubChem: Thomson Pharma 53837686
SureChEMBL SCHEMBL2562975

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