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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333815
CHEMBL2333815
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H7F4NO2S2

Additional synonyms for CHEMBL2333815 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1c(F)c(F)c(Sc2ccccc2)c(F)c1F
Standard InChI InChI=1S/C12H7F4NO2S2/c13-7-9(15)12(21(17,18)19)10(16)8(14)1 ...
Download InChI
Standard InChI Key OIDIBMYPDRHIGK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333815

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
337.3 336.9854 3.04 3 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
8.81 - 1.83 1.81 2 21 0.69

Structural Alerts

There are 3 structural alerts for CHEMBL2333815. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OIDIBMYPDRHIGK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333815



BindingDB 50429918
Nikkaji J3.576.624C
PubChem 71584203
PubChem: Thomson Pharma 163636322
SureChEMBL SCHEMBL15647343
ZINC ZINC000095592787

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