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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2324206
CHEMBL2324206
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C57H57N7O12S

Additional synonyms for CHEMBL2324206 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(=O)(=O)O)C(=O)N[C ...
Download SMILES
Standard InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58 ...
Download InChI
Standard InChI Key VZHNNIDQCHBLRE-WNDGNIDMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2324206

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
1064.2 1063.3786 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL2324206

Compound Cross References

ChemSpider ChemSpider:VZHNNIDQCHBLRE-WNDGNIDMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2324206



BindingDB 50427698
PubChem 71717486

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