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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL36744
CHEMBL36744
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H54BN3O7

Additional synonyms for CHEMBL36744 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc2ccccc2)C(c3cc ...
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Standard InChI InChI=1S/C43H54BN3O7/c1-42(2)32-26-34(42)43(3)35(27-32)53-44 ...
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Standard InChI Key FDCBFBSFHLWFFU-CBGVGXTISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL36744

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
735.7 735.4055 - - - -


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 CHEMBL36744

Compound Cross References

ChemSpider ChemSpider:FDCBFBSFHLWFFU-CBGVGXTISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL36744



BindingDB 50034581
PubChem 44285253

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