ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL447914
CHEMBL447914
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C41H63N3O11

Additional synonyms for CHEMBL447914 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1OC(=O)[C@H](C)[C@H]2OC\C(=N/OCc3ccccc3)\CCO[C@](C)(C ...
Download SMILES
Standard InChI InChI=1S/C41H63N3O11/c1-11-31-41(8)35(42-39(48)55-41)25(4)32 ...
Download InChI
Standard InChI Key PWDAZEBIOZXQRY-SCKLUERHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL447914

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
774 773.4463 4.64 7 163.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 2 2 14 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.45 8.13 4.33 3.61 1 55 0.29

Structural Alerts

There are 9 structural alerts for CHEMBL447914. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PWDAZEBIOZXQRY-SCKLUERHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL447914



PubChem 44580392
ZINC ZINC000169357535

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