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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161334
CHEMBL1161334
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C48H63N11O11S2

Additional synonyms for CHEMBL1161334 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccc ...
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Standard InChI InChI=1S/C48H63N11O11S2/c1-27(60)39-45(66)58-48(70)59(2)47(6 ...
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Standard InChI Key OZDREFLNGRGSTR-ATEMFORASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1161334

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
1034.2 1033.415 - - - -


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 CHEMBL1161334

Compound Cross References

ChemSpider ChemSpider:OZDREFLNGRGSTR-ATEMFORASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161334



PubChem 44368489

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