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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1222121
CHEMBL1222121
Compound Name IONOMYCIN CALCIUM
ChEMBL Synonyms Ionomycin
Max Phase 0
Trade Names
Molecular Formula C41H70CaO9

Additional synonyms for CHEMBL1222121 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Ca+2].C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)\C=C(/[O-]) ...
Download SMILES
Standard InChI InChI=1S/C41H72O9.Ca/c1-25(21-29(5)34(43)24-35(44)30(6)22-27 ...
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Standard InChI Key WKRWUYKLUMMAKG-WYGBAUISSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1222121

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
709 708.5176 6.94 22 153.75 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 2 9 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.77 - 5.91 3.29 0 50 0.05

Structural Alerts

There are 6 structural alerts for CHEMBL1222121. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WKRWUYKLUMMAKG-WYGBAUISSA-L
Wikipedia Ionomycin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1222121



ACToR 56092-82-1
eMolecules 27514940
MolPort MolPort-003-983-599
PubChem 6446270 71308788

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WKRWUYKLUMMAKG-WYGBAUISSA-L spacer
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