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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL182120
CHEMBL182120
Compound Name VOACANGINE
ChEMBL Synonyms Voacangine
Max Phase 0
Trade Names
Molecular Formula C22H28N2O3

Additional synonyms for CHEMBL182120 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](C2)([C@H]13) ...
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Standard InChI InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8- ...
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Standard InChI Key MMAYTCMMKJYIAM-RUGRQLENSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL182120

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
368.5 368.21 4.04 4 54.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.54 3.75 3.21 2 27 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL182120. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MMAYTCMMKJYIAM-RUGRQLENSA-N
Wikipedia Voacangine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL182120



ACToR 52438-91-2
BindingDB 50329104
PubChem 73255
ZINC ZINC000100392804

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