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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1276546
CHEMBL1276546
Compound Name VERDAMICIN
ChEMBL Synonyms Verdamicin
Max Phase 0
Trade Names
Molecular Formula C20H39N5O7

Additional synonyms for CHEMBL1276546 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@ ...
Download SMILES
Standard InChI InChI=1S/C20H39N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23 ...
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Standard InChI Key XUSXOPRDIDWMFO-URTZJOLISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1276546

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
461.6 461.2849 -3.46 6 213.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 8 2 12 12 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.29 11.31 -2.97 -7.9 0 32 0.19

Structural Alerts

There are 2 structural alerts for CHEMBL1276546. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XUSXOPRDIDWMFO-URTZJOLISA-N
Wikipedia Verdamicin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1276546



PubChem 52948323

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