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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275787
CHEMBL275787
Compound Name PRODIGIOSIN
ChEMBL Synonyms Prodigiosin Chloride | Prodigiosin
Max Phase 0
Trade Names
Molecular Formula C20H25N3O

Additional synonyms for CHEMBL275787 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC1=C\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C
Standard InChI InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(2 ...
Download InChI
Standard InChI Key SZXDNGVQRDTJSD-VBKFSLOCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL275787

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
323.4 323.1998 5.34 7 53.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.29 4.11 3.3 2 24 0.66

Structural Alerts

There are 1 structural alerts for CHEMBL275787. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SZXDNGVQRDTJSD-VBKFSLOCSA-N
Wikipedia Prodigiosin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275787



ACToR 82-89-3
Brenda 57897
ChEBI 82758
Metabolights MTBLC82758
Nikkaji J4.620E
SureChEMBL SCHEMBL1388956
ZINC ZINC000028570356

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