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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348055
CHEMBL348055
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H34N2O6

Additional synonyms for CHEMBL348055 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCC4)CN3C)c5cccc1c25.OC ...
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Standard InChI InChI=1S/C24H30N2O2.C4H4O4/c1-15(2)26-13-18-11-22-20(19-8-5- ...
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Standard InChI Key UXEQLDJMBAKLER-IQVRMLRVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL348055

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 4.45 4 34.47 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.27 3.69 3.45 2 28 0.58

Structural Alerts

There are 3 structural alerts for CHEMBL348055. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UXEQLDJMBAKLER-IQVRMLRVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348055



PubChem 44373620

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