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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL434750
CHEMBL434750
Compound Name ERGOSTEROL PEROXIDE
ChEMBL Synonyms Ergosterol Peroxide
Max Phase 0
Trade Names
Molecular Formula C28H44O3

Additional synonyms for CHEMBL434750 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]3 ...
Download SMILES
Standard InChI InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)1 ...
Download InChI
Standard InChI Key VXOZCESVZIRHCJ-KGHQQZOUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL434750

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
428.7 428.329 5.58 4 38.69 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.51 7.51 0 31 0.47

Structural Alerts

There are 8 structural alerts for CHEMBL434750. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VXOZCESVZIRHCJ-KGHQQZOUSA-N
Wikipedia Ergosterol_peroxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL434750



ACToR 2061-64-5
BindingDB 50334064
Brenda 96026
ChEBI 65858
FDA SRS UG9TN81TGH
Metabolights MTBLC65858
Nikkaji J7.315F J938.456A
PubChem 5351516
PubChem: Thomson Pharma 15991354
SureChEMBL SCHEMBL3281353
ZINC ZINC000038139718

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