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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL291026
CHEMBL291026
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H52BN3O6

Additional synonyms for CHEMBL291026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccc ...
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Standard InChI InChI=1S/C38H52BN3O6/c1-5-6-9-20-33(39-47-32-24-28-23-31(37( ...
Download InChI
Standard InChI Key MUPHEXMZSXMJJT-DTNILZMJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL291026

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
657.7 657.3949 - - - -


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 CHEMBL291026

Compound Cross References

ChemSpider ChemSpider:MUPHEXMZSXMJJT-DTNILZMJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL291026



BindingDB 50034577
PubChem 44284992

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