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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255901
CHEMBL1255901
Compound Name HUPERZINE A
ChEMBL Synonyms Huperzine A
Max Phase 0
Trade Names
Molecular Formula C15H18N2O

Additional synonyms for CHEMBL1255901 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C\1/[C@@H]2CC3=C(C=CC(=O)N3)[C@]1(N)CC(=C2)C
Standard InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18) ...
Download InChI
Standard InChI Key ZRJBHWIHUMBLCN-HZRLMBICSA-N

Sources

  • DrugMatrix
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1255901

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
242.3 242.1419 2 0 58.88 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.25 9.01 .83 -.58 1 18 0.68

Structural Alerts

There are 3 structural alerts for CHEMBL1255901. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZRJBHWIHUMBLCN-HZRLMBICSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255901



BindingDB 50342601
PubChem 9794806
PubChem: Thomson Pharma 14749627
ZINC ZINC000100004253

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