ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL265449
CHEMBL265449
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H26Cl2N2O3S

Additional synonyms for CHEMBL265449 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1nc2cc(ccc2n1CC3CCOCC3)S(=O)(=O)c4c(Cl)cccc4Cl
Standard InChI InChI=1S/C23H26Cl2N2O3S/c1-23(2,3)22-26-19-13-16(31(28,29)21 ...
Download InChI
Standard InChI Key DEJWIJDVKUDRRN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL265449

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
481.5 480.1041 5.9 4 61.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.6 5.4 5.4 3 31 0.47

Structural Alerts

There are no structural alerts for CHEMBL265449

Compound Cross References

ChemSpider ChemSpider:DEJWIJDVKUDRRN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL265449



BindingDB 50376576
PubChem 44449738
ZINC ZINC000029048296

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