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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783059
CHEMBL1783059
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H33NO6

Additional synonyms for CHEMBL1783059 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(ccc1OCCCOc2cccc(c2)[C@@H]3OC(=O)NC3=O)[C@@H]4CC[C@@H ...
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Standard InChI InChI=1S/C27H33NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10- ...
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Standard InChI Key OPQJUFLWHVVYLE-PZGSVQSZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783059

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
467.6 467.2308 4.81 10 94.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.47 - 4.96 3.29 2 34 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL1783059. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OPQJUFLWHVVYLE-PZGSVQSZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783059




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