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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279865
CHEMBL279865
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H21NO2

Additional synonyms for CHEMBL279865 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)OC1(CCN(C)CC1)c2ccccc2
Standard InChI InChI=1S/C15H21NO2/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7- ...
Download InChI
Standard InChI Key BCQMRZRAWHNSBF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279865

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
247.3 247.1572 2.56 3 29.54 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.1 1.96 1.78 1 18 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL279865. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BCQMRZRAWHNSBF-UHFFFAOYSA-N
Wikipedia Desmethylprodine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279865



ACToR 13147-09-6
DrugBank DB01478
EPA CompTox Dashboard DTXSID80157061
FDA SRS 07SGC963IR
IBM Patent System 7D62C38499EB83139FF74E0C44168373
Nikkaji J276.357E
PubChem 61583
PubChem: Thomson Pharma 16608922
SureChEMBL SCHEMBL614226
ZINC ZINC000001850715

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