ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333409
CHEMBL2333409
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15F4NO2S2

Additional synonyms for CHEMBL2333409 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c(CSc2c(F)c(F)c(c(F)c2F)S(=O)(=O)N)c(C)c1
Standard InChI InChI=1S/C16H15F4NO2S2/c1-7-4-8(2)10(9(3)5-7)6-24-15-11(17)1 ...
Download InChI
Standard InChI Key BPYBAELOXGVWRV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333409

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
393.4 393.048 4.11 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
8.82 - 4.15 4.13 2 25 0.48

Structural Alerts

There are 3 structural alerts for CHEMBL2333409. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BPYBAELOXGVWRV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333409



BindingDB 50429909
PubChem 71584333
PubChem: Thomson Pharma 163636462
SureChEMBL SCHEMBL15647997
ZINC ZINC000095589022

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