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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL407198
CHEMBL407198
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C53H65N11O11

Additional synonyms for CHEMBL407198 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O ...
Download SMILES
Standard InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-49(71)39(55)28-36-27-3 ...
Download InChI
Standard InChI Key NXHWDEQNHXTHJU-AYMWOJQISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL407198

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
1032.2 1031.4865 - - - -


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 CHEMBL407198

Compound Cross References

ChemSpider ChemSpider:NXHWDEQNHXTHJU-AYMWOJQISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL407198



BindingDB 50202112
PubChem 44418924

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