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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028991
CHEMBL2028991
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C57H80N12O9

Additional synonyms for CHEMBL2028991 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c ...
Download SMILES
Standard InChI InChI=1S/C57H80N12O9/c1-35(2)23-44(53(74)66-43(52(58)73)26-3 ...
Download InChI
Standard InChI Key ZOAVSRHEYNKAIW-MHNOLCRISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2028991

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
1077.3 1076.6171 - - - -


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 CHEMBL2028991

Compound Cross References

ChemSpider ChemSpider:ZOAVSRHEYNKAIW-MHNOLCRISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028991



BindingDB 50405190
PubChem 70696214

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