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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1618335
CHEMBL1618335
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H21NO

Additional synonyms for CHEMBL1618335 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1CC[C@H]2[C@@H]1CCc3ccc(O)cc23
Standard InChI InChI=1S/C15H21NO/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6 ...
Download InChI
Standard InChI Key LJDRQPOQHHOXHM-HIFRSBDPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1618335

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
231.3 231.1623 2.91 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
10.29 10.07 2.82 .27 1 17 0.85

Structural Alerts

There are no structural alerts for CHEMBL1618335

Compound Cross References

ChemSpider ChemSpider:LJDRQPOQHHOXHM-HIFRSBDPSA-N
PubChem SID: 90341131

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1618335



Nikkaji J907.192J
PubChem 10353845
PubChem: Thomson Pharma 15439872 15366144
SureChEMBL SCHEMBL15938228

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