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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160721
CHEMBL160721
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H34N2O6

Additional synonyms for CHEMBL160721 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC(=C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)COC(=O)C5CCCCCC5.OC(= ...
Download SMILES
Standard InChI InChI=1S/C24H30N2O2.C4H4O4/c1-26-14-16(15-28-24(27)17-7-4-2- ...
Download InChI
Standard InChI Key JPQYCTZIZPZIIE-IQVRMLRVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL160721

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
378.5 378.2307 4.56 3 45.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.49 4.35 4.05 2 28 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL160721. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JPQYCTZIZPZIIE-IQVRMLRVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160721



PubChem 44373548

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