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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL514596
CHEMBL514596
Compound Name SOLASODINE
ChEMBL Synonyms Solasodine
Max Phase 0
Trade Names
Molecular Formula C27H43NO2

Additional synonyms for CHEMBL514596 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CC[C@]2(NC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C ...
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Standard InChI InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)1 ...
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Standard InChI Key KWVISVAMQJWJSZ-MEPOCMDBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL514596

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
413.7 413.3294 5.29 0 41.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.72 6.5 5.16 0 30 0.53

Structural Alerts

There are 1 structural alerts for CHEMBL514596. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KWVISVAMQJWJSZ-MEPOCMDBSA-N
Wikipedia Solasodine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL514596



PubChem 44584207
ZINC ZINC000008143844

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