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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333405
CHEMBL2333405
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H12F4N2O3S

Additional synonyms for CHEMBL2333405 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1c(F)c(F)c(NCCc2ccc(O)cc2)c(F)c1F
Standard InChI InChI=1S/C14H12F4N2O3S/c15-9-11(17)14(24(19,22)23)12(18)10(1 ...
Download InChI
Standard InChI Key DBTMJCTWNCXRQA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333405

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
364.3 364.0505 2.25 5 92.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9 - 2.17 2.16 2 24 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL2333405. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DBTMJCTWNCXRQA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333405



BindingDB 50429913
Nikkaji J3.576.627H
PubChem 71584330
PubChem: Thomson Pharma 163636459
SureChEMBL SCHEMBL15647078
ZINC ZINC000095587096

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