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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL557217
CHEMBL557217
Compound Name GRAMICIDIN D
ChEMBL Synonyms Gramicidin D
Max Phase 0
Trade Names
Molecular Formula C96H135N19O16

Additional synonyms for CHEMBL557217 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C ...
Download SMILES
Standard InChI InChI=1S/C96H135N19O16/c1-50(2)36-71(105-79(118)48-102-93(12 ...
Download InChI
Standard InChI Key NDAYQJDHGXTBJL-MWWSRJDJSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL557217

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
1811.2 1810.0334 - - - -


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 CHEMBL557217

Compound Cross References

ChemSpider ChemSpider:NDAYQJDHGXTBJL-MWWSRJDJSA-N
Wikipedia Gramicidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL557217



PubChem 45267103

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