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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL151233
CHEMBL151233
Compound Name VARACIN
ChEMBL Synonyms Varacin
Max Phase 0
Trade Names
Molecular Formula C10H13NO2S5

Additional synonyms for CHEMBL151233 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CCN)c2SSSSSc2c1OC
Standard InChI InChI=1S/C10H13NO2S5/c1-12-7-5-6(3-4-11)9-10(8(7)13-2)15-17- ...
Download InChI
Standard InChI Key HIKCOAGMCNIBMP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL151233

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
339.5 338.955 3.88 4 170.98 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.36 3.92 1.99 1 18 0.8

Structural Alerts

There are 8 structural alerts for CHEMBL151233. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HIKCOAGMCNIBMP-UHFFFAOYSA-N
Wikipedia Varacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL151233



ACToR 134029-48-4
BindingDB 50240848
EPA CompTox Dashboard DTXSID10158465
IBM Patent System B47B303C93403E61180B9DE873D8CBD1
Nikkaji J554.802K
PubChem 179269
PubChem: Thomson Pharma 15050841

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