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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2037082
CHEMBL2037082
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H27NO5

Additional synonyms for CHEMBL2037082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(ccc1OCCCOc2cccc(c2)[C@@H]3OC(=O)NC3=O)c4ccccc4
Standard InChI InChI=1S/C27H27NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24 ...
Download InChI
Standard InChI Key MGGDNQNEQAXVQA-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2037082

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
445.5 445.1889 5.46 10 73.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.47 - 6.11 4.44 3 33 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL2037082. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MGGDNQNEQAXVQA-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2037082



PubChem 70681806
ZINC ZINC000012358515

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