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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL445022
CHEMBL445022
Compound Name VOACAMINE
ChEMBL Synonyms Voacamine
Max Phase 0
Trade Names
Molecular Formula C44H56N4O5

Additional synonyms for CHEMBL445022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1C[C@@H]2CN3CCC4C(Nc5cc([C@H]6C[C@H]7C(C/C/7=C/C)[C@@ ...
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Standard InChI InChI=1S/C44H56N4O5/c1-7-24-16-31-28(24)17-32(39-33(26-11-9- ...
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Standard InChI Key YASZRXHHZSXNQI-VRHVUSBISA-N

Structural Alerts

There are 2 structural alerts for CHEMBL445022. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL445022

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
720.9 720.4251 6.85 8 104.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 2 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.66 9.2 6 3 53 0.17

Compound Cross References

ChemSpider ChemSpider:YASZRXHHZSXNQI-VRHVUSBISA-N
Wikipedia Voacamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL445022



BindinDB 50341130
PubChem 44559754

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