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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL536047
CHEMBL536047
Compound Name
ChEMBL Synonyms (+/-)-Hupriney Hydrochloride | (+/-)-Huprine Y
Max Phase 0
Trade Names
Molecular Formula C17H18Cl2N2

Additional synonyms for CHEMBL536047 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC1=CC2CC(C1)c3c(C2)nc4cc(Cl)ccc4c3N
Standard InChI InChI=1S/C17H17ClN2.ClH/c1-9-4-10-6-11(5-9)16-15(7-10)20-14- ...
Download InChI
Standard InChI Key PIFZZHUTNUAVBT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL536047

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
284.8 284.108 4.47 0 38.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.87 4.62 4.03 2 20 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL536047. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PIFZZHUTNUAVBT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL536047



PubChem 45263259

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