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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL345124
CHEMBL345124
Compound Name PROPIDIUM
ChEMBL Synonyms Propidium Iodine | Propidium | Propidium Iodide
Max Phase 0
Trade Names
Molecular Formula C27H34I2N4

Additional synonyms for CHEMBL345124 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [I-].[I-].CC[N+](C)(CC)CCC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N ...
Download SMILES
Standard InChI InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)1 ...
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Standard InChI Key XJMOSONTPMZWPB-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL345124

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
414.6 414.2783 3.4 7 55.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.63 -1.89 -1.89 4 31 0.21

Structural Alerts

There are 12 structural alerts for CHEMBL345124. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XJMOSONTPMZWPB-UHFFFAOYSA-M
PubChem SID: 57264271
Wikipedia Propidium_iodide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL345124



ChEBI 51240
eMolecules 494865
FDA SRS TP416O228T
MolPort MolPort-003-929-149
PubChem 104981 53628239
PubChem: Thomson Pharma 14766011
SureChEMBL SCHEMBL14996

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XJMOSONTPMZWPB-UHFFFAOYSA-M spacer
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