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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333406
CHEMBL2333406
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H11F4NO2S2

Additional synonyms for CHEMBL2333406 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1F
Standard InChI InChI=1S/C14H11F4NO2S2/c15-9-11(17)14(23(19,20)21)12(18)10(1 ...
Download InChI
Standard InChI Key QVTWNMKKLBUIIT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333406

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
365.4 365.0167 3.23 5 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
8.83 - 3.25 3.23 2 23 0.5

Structural Alerts

There are 3 structural alerts for CHEMBL2333406. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QVTWNMKKLBUIIT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333406



BindingDB 50429912
Nikkaji J3.576.626J
PubChem 71584331
PubChem: Thomson Pharma 163636460
SureChEMBL SCHEMBL15647890
ZINC ZINC000095591460

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