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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333416
CHEMBL2333416
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H7F4NO3S2

Additional synonyms for CHEMBL2333416 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F
Standard InChI InChI=1S/C8H7F4NO3S2/c9-3-5(11)8(18(13,15)16)6(12)4(10)7(3)1 ...
Download InChI
Standard InChI Key DKTDBVHOWVECPE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333416

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
305.3 304.9803 0.97 4 80.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.8 - .78 .76 1 18 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL2333416. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DKTDBVHOWVECPE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333416



BindingDB 50429899
Nikkaji J3.576.622G
PubChem 71584198
PubChem: Thomson Pharma 163636316
SureChEMBL SCHEMBL15646902
ZINC ZINC000095591208

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