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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL379989
CHEMBL379989
Compound Name RHIZOXIN
ChEMBL Synonyms Rhizoxin
Max Phase 0
Trade Names
Molecular Formula C35H47NO9

Additional synonyms for CHEMBL379989 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]([C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2\C=C\[C@@H ...
Download SMILES
Standard InChI InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3) ...
Download InChI
Standard InChI Key OWPCHSCAPHNHAV-QIPOKPRISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL379989

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
625.8 625.3251 3.67 7 133.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 1 10 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.79 1.17 4.3 4.3 1 45 0.27

Structural Alerts

There are 13 structural alerts for CHEMBL379989. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OWPCHSCAPHNHAV-QIPOKPRISA-N
Wikipedia Rhizoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL379989



ChEBI 72590
FDA SRS C1V1Y784E4
Metabolights MTBLC72590
PubChem 6437358
PubChem: Drugs of the Future 12013586
PubChem: Thomson Pharma 16188703
SureChEMBL SCHEMBL15955
ZINC ZINC000049780022

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