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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333418
CHEMBL2333418
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H9F4NO2S2

Additional synonyms for CHEMBL2333418 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCSc1c(F)c(F)c(c(F)c1F)S(=O)(=O)N
Standard InChI InChI=1S/C9H9F4NO2S2/c1-2-3-17-8-4(10)6(12)9(18(14,15)16)7(1 ...
Download InChI
Standard InChI Key LKPIFWBRFVJTMY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333418

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
303.3 303.0011 2.39 4 60.16 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.85 - 2.47 2.45 1 18 0.53

Structural Alerts

There are 3 structural alerts for CHEMBL2333418. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LKPIFWBRFVJTMY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333418



BindingDB 50429922
Nikkaji J3.576.621I
PDBe 3TV
PubChem 71584199
PubChem: Thomson Pharma 163636318
SureChEMBL SCHEMBL15647877
ZINC ZINC000095589548

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