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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL389449
CHEMBL389449
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N2O6

Additional synonyms for CHEMBL389449 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(OC)c(\C=C\2/NC(=O)[C@@H]3Cc4c(OC)ccc(OC)c4[C@H](C)N3 ...
Download SMILES
Standard InChI InChI=1S/C24H26N2O6/c1-13-22-16(20(31-4)8-9-21(22)32-5)12-18 ...
Download InChI
Standard InChI Key WXYDNPZTDZDEQZ-DFIIUBNTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL389449

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
438.5 438.1791 2.71 5 86.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.22 - 4.25 4.25 2 32 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL389449. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WXYDNPZTDZDEQZ-DFIIUBNTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL389449



PubChem 44421873
ZINC ZINC000028640870

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