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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2408560
CHEMBL2408560
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H21N3O5S

Additional synonyms for CHEMBL2408560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2ccccc2C(=O)/C/1=C/Nc3ccc(cc3)S(=O)(=O)Nc4ccccn4
Standard InChI InChI=1S/C23H21N3O5S/c1-2-30-23-19(22(27)18-7-3-4-8-20(18)31 ...
Download InChI
Standard InChI Key PPMZPBIRIUZHLT-CYVLTUHYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2408560

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
451.5 451.1202 3.82 7 106.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.39 1.53 1.91 1.87 3 32 0.53

Structural Alerts

There are 4 structural alerts for CHEMBL2408560. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PPMZPBIRIUZHLT-CYVLTUHYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2408560



PubChem 72204321

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