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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL264337
CHEMBL264337
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C55H74N12O8

Additional synonyms for CHEMBL264337 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3cccc ...
Download SMILES
Standard InChI InChI=1S/C55H74N12O8/c1-4-5-23-46(68)62-45-30-47(69)59-26-12 ...
Download InChI
Standard InChI Key WTILZTLRGPPYOW-MWAUWXHKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL264337

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
1031.3 1030.5753 - - - -


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 CHEMBL264337

Compound Cross References

ChemSpider ChemSpider:WTILZTLRGPPYOW-MWAUWXHKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL264337



BindingDB 50126097
PubChem 44275372

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