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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6620
CHEMBL6620
Compound Name
ChEMBL Synonyms Racemic DOTFM
Max Phase 0
Trade Names
Molecular Formula C12H16F3NO2

Additional synonyms for CHEMBL6620 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(c(OC)cc1CC(C)N)C(F)(F)F
Standard InChI InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-1 ...
Download InChI
Standard InChI Key WPGOTSORDNBMHP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6620

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
263.3 263.1133 2.54 5 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
- 9.46 2.58 .55 1 18 0.89

Structural Alerts

There are no structural alerts for CHEMBL6620

Compound Cross References

ChemSpider ChemSpider:WPGOTSORDNBMHP-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-trifluoromethylamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6620



BindingDB 50038370
EPA CompTox Dashboard DTXSID40439330
Nikkaji J627.876K
PubChem 10400521
PubChem: Thomson Pharma 15417179
SureChEMBL SCHEMBL14655679

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