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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3115800
CHEMBL3115800
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H33NO3

Additional synonyms for CHEMBL3115800 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCC\C=C/c1cc2ccccc2n1C(=O)CCCC(=O)O
Standard InChI InChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-9-10-15-21-19-20-14-11-1 ...
Download InChI
Standard InChI Key APSSTJAWLLAAIE-GDNBJRDFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3115800

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
383.5 383.246 6.69 13 59.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.6 - 7.55 4.79 2 28 0.39

Structural Alerts

There are 8 structural alerts for CHEMBL3115800. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:APSSTJAWLLAAIE-GDNBJRDFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3115800



BindingDB 50446969
PubChem 68036050
SureChEMBL SCHEMBL10105327
ZINC ZINC000103270895

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