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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL450203
CHEMBL450203
Compound Name STREPTAZOLIN
ChEMBL Synonyms streptazolin
Max Phase 0
Trade Names
Molecular Formula C11H13NO3

Additional synonyms for CHEMBL450203 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C\1/[C@H](O)[C@H]2OC(=O)N3CCC=C1[C@@H]23
Standard InChI InChI=1S/C11H13NO3/c1-2-6-7-4-3-5-12-8(7)10(9(6)13)15-11(12) ...
Download InChI
Standard InChI Key OJIUACOQFBQCDF-IKXJTIOISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL450203

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
207.2 207.0895 0.82 0 49.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.63 - 1.22 1.22 0 15 0.64

Structural Alerts

There are no structural alerts for CHEMBL450203

Compound Cross References

ChemSpider ChemSpider:OJIUACOQFBQCDF-IKXJTIOISA-N
Wikipedia Streptazolin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL450203



PubChem 11769676
PubChem: Thomson Pharma 16878494
ZINC ZINC000014717250

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