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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL267311
CHEMBL267311
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19NO2

Additional synonyms for CHEMBL267311 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C2CC[C@@H]2N)c(OC)cc1C
Standard InChI InChI=1S/C13H19NO2/c1-8-6-13(16-3)10(7-12(8)15-2)9-4-5-11(9) ...
Download InChI
Standard InChI Key RUSUFOFGWALPJC-UMJHXOGRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL267311

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
221.3 221.1416 2.22 3 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
- 10.44 2.68 -.08 1 16 0.85

Structural Alerts

There are no structural alerts for CHEMBL267311

Compound Cross References

ChemSpider ChemSpider:RUSUFOFGWALPJC-UMJHXOGRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL267311



PubChem 44268608

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