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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL216753
CHEMBL216753
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C44H65N9O16S

Additional synonyms for CHEMBL216753 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C ...
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Standard InChI InChI=1S/C44H65N9O16S/c1-8-18-53(44(69)70-26-13-10-9-11-14-2 ...
Download InChI
Standard InChI Key BWPMQPICHWVGBM-PFPONLIYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL216753

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
1008.1 1007.427 - - - -


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 CHEMBL216753

Compound Cross References

ChemSpider ChemSpider:BWPMQPICHWVGBM-PFPONLIYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL216753



BindingDB 50111068
PubChem 44263906

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