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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1165411
CHEMBL1165411
Compound Name DEXOXADROL
ChEMBL Synonyms Dexoxadrol | Dioxadrol
Max Phase 0
Trade Names
Molecular Formula C20H23NO2

Additional synonyms for CHEMBL1165411 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC[C@H](NC1)[C@H]2COC(O2)(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22- ...
Download InChI
Standard InChI Key HGKAMARNFGKMLC-RBUKOAKNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1165411

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
309.4 309.1729 3.66 3 30.49 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.58 4.2 2.07 2 23 0.94

Structural Alerts

There are no structural alerts for CHEMBL1165411

Compound Cross References

ChemSpider ChemSpider:HGKAMARNFGKMLC-RBUKOAKNSA-N
Wikipedia Dexoxadrol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1165411



ACToR 4741-41-7
FDA SRS JY5N9F45AG
IBM Patent System DCDE86D6DB21E4D4732772E2FD757C96
Nikkaji J8.768H
PubChem 3034023
PubChem: Thomson Pharma 99312110
SureChEMBL SCHEMBL24683
ZINC ZINC000008659933

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