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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2402207
CHEMBL2402207
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H22N2O6S2

Additional synonyms for CHEMBL2402207 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c4ccccc24
Standard InChI InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-2 ...
Download InChI
Standard InChI Key XLLVCULLOGKYOO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2402207

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
498.6 498.0919 4.46 8 110.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.1 - 3.21 3.13 4 34 0.37

Structural Alerts

There are 2 structural alerts for CHEMBL2402207. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLLVCULLOGKYOO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2402207



BindingDB 50006931
eMolecules 1370355
Mcule MCULE-4443426621
MolPort MolPort-000-644-016
Nikkaji J3.322.121E
PDBe IQK
PubChem 1073725
ZINC ZINC000000781579

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