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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL514782
CHEMBL514782
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H21ClN2O5S

Additional synonyms for CHEMBL514782 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)Oc2ccc(cc2[C@@H](Nc3noc4ccc(Cl)cc34)[C@@H]1O)S(=O)(=O) ...
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Standard InChI InChI=1S/C24H21ClN2O5S/c1-24(2)22(28)21(26-23-18-12-14(25)8- ...
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Standard InChI Key SVLCHCRRCKEHBS-YADHBBJMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL514782

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
485 484.086 5.08 4 110.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 7 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.05 - 5.57 5.57 4 33 0.42

Structural Alerts

There are no structural alerts for CHEMBL514782

Compound Cross References

ChemSpider ChemSpider:SVLCHCRRCKEHBS-YADHBBJMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL514782



BindingDB 50247784
IBM Patent System 7E21901F7B3C8945DE6C681923BD0927
PubChem 44564322
SureChEMBL SCHEMBL482172
ZINC ZINC000040404375

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