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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1791308
CHEMBL1791308
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C57H76N14O12

Additional synonyms for CHEMBL1791308 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N ...
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Standard InChI InChI=1S/C57H76N14O12/c1-5-32(4)48(53(79)67-42(26-36-28-61-3 ...
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Standard InChI Key IIDXHYWHUIOPIA-FDVGCMLVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1791308

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
1149.3 1148.5767 - - - -


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 CHEMBL1791308

Compound Cross References

ChemSpider ChemSpider:IIDXHYWHUIOPIA-FDVGCMLVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1791308



BindingDB 50370575
PubChem 56661223

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