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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL119965
CHEMBL119965
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H19NO

Additional synonyms for CHEMBL119965 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1C2Cc3ccc(O)cc3[C@@H]1CCN2C
Standard InChI InChI=1S/C14H19NO/c1-9-12-5-6-15(2)14(9)7-10-3-4-11(16)8-13( ...
Download InChI
Standard InChI Key SVPZRQDNNLAJMW-VTGPFMDVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL119965

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
217.3 217.1467 2.37 0 23.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.19 - 2.34 .6 1 16 0.72

Structural Alerts

There are no structural alerts for CHEMBL119965

Compound Cross References

ChemSpider ChemSpider:SVPZRQDNNLAJMW-VTGPFMDVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL119965



PubChem 44345743

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