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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL418050
CHEMBL418050
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C46H52BN3O6

Additional synonyms for CHEMBL418050 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)C2C[C@H]3OB(O[C@@]3(C)C1C2)C(Cc4ccccc4)NC(=O)[C@@H]5CC ...
Download SMILES
Standard InChI InChI=1S/C46H52BN3O6/c1-45(2)35-28-37(45)46(3)38(29-35)55-47 ...
Download InChI
Standard InChI Key SAHIWIHDGKJMDR-DWTJSFPDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL418050

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
753.8 753.3949 - - - -


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 CHEMBL418050

Compound Cross References

ChemSpider ChemSpider:SAHIWIHDGKJMDR-DWTJSFPDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL418050



BindingDB 50034580
PubChem 44285312

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