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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL240197
CHEMBL240197
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C74H76N2O19

Additional synonyms for CHEMBL240197 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(c1)[C@H](CCc3cc(OC)c(OC)c(OC)c23)\N=C\c4ccc(cc4)C( ...
Download SMILES
Standard InChI InChI=1S/C74H76N2O19/c1-40-54(92-70(84)60(79)59(44-20-14-11- ...
Download InChI
Standard InChI Key XREGXJZDTGPZFA-ASHHOQCLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL240197

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
1297.4 1296.5042 - - - -


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 CHEMBL240197

Compound Cross References

ChemSpider ChemSpider:XREGXJZDTGPZFA-ASHHOQCLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL240197




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