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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152423
CHEMBL152423
Compound Name T-2 TOXIN
ChEMBL Synonyms T2 toxin
Max Phase 0
Trade Names
Molecular Formula C24H34O9

Additional synonyms for CHEMBL152423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@ ...
Download SMILES
Standard InChI InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)1 ...
Download InChI
Standard InChI Key BXFOFFBJRFZBQZ-QYWOHJEZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL152423

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
466.5 466.2203 0.99 9 120.88 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.24 - 1.97 1.97 0 33 0.39

Structural Alerts

There are 12 structural alerts for CHEMBL152423. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BXFOFFBJRFZBQZ-QYWOHJEZSA-N
Wikipedia T-2_mycotoxin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152423



ACToR 21259-20-1
Brenda 138832
eMolecules 594898
EPA CompTox Dashboard DTXSID6021298
FDA SRS I3FL5NM3MO
Nikkaji J3.789C
PubChem 5284461
SureChEMBL SCHEMBL7536392
ZINC ZINC000016052538

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