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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL111861
CHEMBL111861
Compound Name CORTISONE
ChEMBL Synonyms Cortisone
Max Phase 0
Trade Names
Molecular Formula C21H30O5

Additional synonyms for CHEMBL111861 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@@H](O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@] ...
Download SMILES
Standard InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(2 ...
Download InChI
Standard InChI Key LPYXTAPPNYMYOP-XDBTXSBWSA-N

Sources

  • DrugMatrix
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL111861

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
362.5 362.2093 1.78 2 94.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.37 - 1.29 1.29 0 26 0.65

Structural Alerts

There are 3 structural alerts for CHEMBL111861. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LPYXTAPPNYMYOP-XDBTXSBWSA-N
Wikipedia Cortisone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL111861



BindingDB 50378799
PubChem 5867
ZINC ZINC000026992018

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