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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL505529
CHEMBL505529
Compound Name TOPOSTATIN
ChEMBL Synonyms Topostatin
Max Phase 0
Trade Names
Molecular Formula C36H58N4O11S

Additional synonyms for CHEMBL505529 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC(C)C\C=C(/C)\C=C\C(=O)C(C)CCC1OC(=O)[C@H](CC(OS(=O)( ...
Download SMILES
Standard InChI InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16- ...
Download InChI
Standard InChI Key XLDIAUNLPWGNHO-NUPNHORYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL505529

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
754.9 754.3823 3.35 19 237.36 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 1 15 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-4.58 - 4.96 1.46 0 52 0.04

Structural Alerts

There are 23 structural alerts for CHEMBL505529. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLDIAUNLPWGNHO-NUPNHORYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL505529



PubChem 44559995

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