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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL149667
CHEMBL149667
Compound Name
ChEMBL Synonyms (+)-Pyrido[3,4-B]Homotropane
Max Phase 0
Trade Names
Molecular Formula C11H14N2

Additional synonyms for CHEMBL149667 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CC2NC1CCc3ccncc23
Standard InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7 ...
Download InChI
Standard InChI Key TXCZFZKWSPPSHR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL149667

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
174.3 174.1157 1.82 0 24.92 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.37 1.25 -1 1 13 0.65

Structural Alerts

There are no structural alerts for CHEMBL149667

Compound Cross References

ChemSpider ChemSpider:TXCZFZKWSPPSHR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL149667



BindingDB 50023331
Nikkaji J1.421.489E
PubChem 13996231
PubChem: Thomson Pharma 22391684

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