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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-]) ...
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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

Structural Alerts

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

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 -


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
- - .98 .98 0 50 0.05

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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