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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL526744
CHEMBL526744
Compound Name NISIN
ChEMBL Synonyms Nisin | E234
Max Phase 0
Trade Names
Molecular Formula C142H227N43O37S7

Additional synonyms for CHEMBL526744 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H](N)C(=O)N\C(=C\C)\C(=O)N[C@@H]1CSC[C@H](NC(=O ...
Download SMILES
Standard InChI InChI=1S/C142H227N43O37S7/c1-24-66(9)102(146)132(211)162-81( ...
Download InChI
Standard InChI Key HZQRATOABKBXJZ-STTLGUQMSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL526744

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
3353 3350.5248 - - - -


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 CHEMBL526744

Compound Cross References

ChemSpider ChemSpider:HZQRATOABKBXJZ-STTLGUQMSA-N
Wikipedia Nisin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL526744



PubChem 44567786

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