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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL266643
CHEMBL266643
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C51H73N13O10S2

Additional synonyms for CHEMBL266643 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc3ccccc3)NC ...
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Standard InChI InChI=1S/C51H73N13O10S2/c1-30(2)42-48(73)61-36(26-39(52)65)4 ...
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Standard InChI Key AUPQOJCSCYBFTO-LWBAHHHCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL266643

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
1092.4 1091.5045 - - - -


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 CHEMBL266643

Compound Cross References

ChemSpider ChemSpider:AUPQOJCSCYBFTO-LWBAHHHCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL266643



BindingDB 50407347
PubChem 44294474

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