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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160354
CHEMBL160354
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H38N2O6

Additional synonyms for CHEMBL160354 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CCCCC4)C=C3c5cccc1c25.O ...
Download SMILES
Standard InChI InChI=1S/C26H34N2O2.C4H4O4/c1-17(2)28-15-20-13-24-22(21-10-7 ...
Download InChI
Standard InChI Key AEPOKJXPUGAPME-MJWGMBJQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL160354

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
406.6 406.262 5.22 4 34.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.79 4.94 4.4 2 30 0.65

Structural Alerts

There are 2 structural alerts for CHEMBL160354. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AEPOKJXPUGAPME-MJWGMBJQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160354



PubChem 44373482

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