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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL517003
CHEMBL517003
Compound Name LYCOCTONINE
ChEMBL Synonyms Lycoctonine
Max Phase 0
Trade Names
Molecular Formula C25H41NO7

Additional synonyms for CHEMBL517003 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C[C@]2(CO)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@H](C[C@@]( ...
Download SMILES
Standard InChI InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-1 ...
Download InChI
Standard InChI Key YOTUXHIWBVZAJQ-VCDUNCIKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL517003

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
467.6 467.2883 0.27 6 100.85 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.3 5.95 .4 .36 0 33 0.51

Structural Alerts

There are no structural alerts for CHEMBL517003

Compound Cross References

ChemSpider ChemSpider:YOTUXHIWBVZAJQ-VCDUNCIKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL517003



PubChem 11972492
ZINC ZINC000100767688

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