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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL132261
CHEMBL132261
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H33NOS

Additional synonyms for CHEMBL132261 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCc1cccs1)C2CCc3c(C2)cccc3OC4CCCC4
Standard InChI InChI=1S/C24H33NOS/c1-2-15-25(16-14-22-10-6-17-27-22)20-12-1 ...
Download InChI
Standard InChI Key ZLVAAOLZQMSQAG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL132261

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
383.6 383.2283 6.61 8 40.71 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.92 6.64 5.12 2 27 0.51

Structural Alerts

There are no structural alerts for CHEMBL132261

Compound Cross References

ChemSpider ChemSpider:ZLVAAOLZQMSQAG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL132261



BindingDB 50054083
Nikkaji J379.783J
PubChem 44355433

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