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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL418944
CHEMBL418944
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H25NO

Additional synonyms for CHEMBL418944 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)C1C[C@H](O)c2ccccc2C1
Standard InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)14-11-13-7-5-6-8-15(13)16 ...
Download InChI
Standard InChI Key NYBWBNYARFYGIA-WMCAAGNKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL418944

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
247.4 247.1936 3.16 5 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
- 9.42 2.54 .53 1 18 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL418944. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NYBWBNYARFYGIA-WMCAAGNKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL418944



BindingDB 50283547
PubChem 44321342

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