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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3265297
CHEMBL3265297
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H18ClNO5S2

Additional synonyms for CHEMBL3265297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)c3ccc(Cl)cc3)c4ccccc4c1O
Standard InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8 ...
Download InChI
Standard InChI Key NZJRLTZEJDEFLT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3265297

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
500 499.0315 5.84 7 103.7 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.41 - 5.78 2.02 4 33 0.22

Structural Alerts

There are 3 structural alerts for CHEMBL3265297. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NZJRLTZEJDEFLT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3265297



BindingDB 50013865
PubChem 71548702
PubChem: Thomson Pharma 163547843
SureChEMBL SCHEMBL14851451
ZINC ZINC000143110284

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