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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285873
CHEMBL285873
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H19NO

Additional synonyms for CHEMBL285873 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
Standard InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-11-4-3-5-15(17)13(11)6-7 ...
Download InChI
Standard InChI Key MHHLELSXRBTNRD-GXTWGEPZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285873

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
229.3 229.1467 2.68 2 23.47 BASE


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
10.21 9.04 2.3 .68 1 17 0.79

Structural Alerts

There are 3 structural alerts for CHEMBL285873. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MHHLELSXRBTNRD-GXTWGEPZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285873



BindingDB 50034355
Nikkaji J547.712C
PubChem 10014056
PubChem: Thomson Pharma 14994544
ZINC ZINC000013826517

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