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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1082084
CHEMBL1082084
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H14Cl4FN3O3S2

Additional synonyms for CHEMBL1082084 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cn(Cc2ccc(Cl)cc2Cl)c3c(cc(F)cc13)c4onc(NS(=O)(=O)c5cc(Cl) ...
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Standard InChI InChI=1S/C23H14Cl4FN3O3S2/c1-11-9-31(10-12-2-3-13(24)4-17(12 ...
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Standard InChI Key WEEMHMXBXLEXRD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1082084

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
605.3 602.9215 8.27 6 77.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.1 - 7.46 5.63 5 36 0.21

Structural Alerts

There are 2 structural alerts for CHEMBL1082084. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WEEMHMXBXLEXRD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1082084



BindingDB 50311614
IBM Patent System F9BC470890DF00163ECE02E398736E77
PubChem 46879757
SureChEMBL SCHEMBL1926738
ZINC ZINC000049785591

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