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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3265299
CHEMBL3265299
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H19NO6S2

Additional synonyms for CHEMBL3265299 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc4c1O
Standard InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20( ...
Download InChI
Standard InChI Key CTGZINWTGVOSRK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3265299

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
481.6 481.0654 5.32 8 112.93 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 7 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.41 - 5.31 1.57 4 33 0.23

Structural Alerts

There are 3 structural alerts for CHEMBL3265299. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CTGZINWTGVOSRK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3265299



BindingDB 50013867
Nikkaji J3.334.739A
PubChem 86765310
SureChEMBL SCHEMBL14842627
ZINC ZINC000169348347

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