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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL523142
CHEMBL523142
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H19Cl2NO6S

Additional synonyms for CHEMBL523142 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N3Oc4cc(Cl)ccc4C3=O)S(=O)(=O) ...
Download SMILES
Standard InChI InChI=1S/C24H19Cl2NO6S/c1-24(2)22(28)21(27-23(29)17-9-5-14(2 ...
Download InChI
Standard InChI Key OXOGFODEQCWLLO-YADHBBJMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL523142

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
520.4 519.031 4.86 3 98.74 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.89 - 5.04 5.04 4 34 0.41

Structural Alerts

There are no structural alerts for CHEMBL523142

Compound Cross References

ChemSpider ChemSpider:OXOGFODEQCWLLO-YADHBBJMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL523142



BindingDB 50247859
IBM Patent System 5C8B0BB6EA6289C85463F29E324EB8DC
PubChem 44564465
SureChEMBL SCHEMBL481830
ZINC ZINC000042889933

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