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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@@ ...
Download SMILES
Standard InChI InChI=1S/C44H56N4O5/c1-7-24-16-31-28(24)17-32(39-33(26-11-9- ...
Download InChI
Standard InChI Key YASZRXHHZSXNQI-VRHVUSBISA-N

Sources

  • Scientific Literature

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

Structural Alerts

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

Compound Cross References

ChemSpider ChemSpider:YASZRXHHZSXNQI-VRHVUSBISA-N
Wikipedia Voacamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL445022



BindingDB 50341130
PubChem 44559754

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