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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145588
CHEMBL145588
Compound Name GLIOTOXIN/CYSTEINE
ChEMBL Synonyms Gliotoxin/Cysteine
Max Phase 0
Trade Names
Molecular Formula C16H21N3O6S3

Additional synonyms for CHEMBL145588 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3.N[C ...
Download SMILES
Standard InChI InChI=1S/C13H14N2O4S2.C3H7NO2S/c1-14-10(18)12-5-7-3-2-4-8(17 ...
Download InChI
Standard InChI Key SPCVCNJNPCFLJM-KCZBXKJOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL145588

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL145588

Compound Cross References

ChemSpider ChemSpider:SPCVCNJNPCFLJM-KCZBXKJOSA-N
Wikipedia Gliotoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145588



PubChem 44363028

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