Ligand Id: 53
Ligand name spiroxatrine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.04
Molecular weight 379.19
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
International Nonproprietary Names
INN number INN
1655 spiroxatrine
Synonyms
8-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-8-ylmethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
Espiroxatrina
Spiroxatrinum
Database Links
BindingDB Ligand 50020192
CAS Registry No. 1054-88-2 (source: Scifinder)
ChEBI CHEBI:193015
ChEMBL Ligand 193015
PubChem CID 5268
Search on ChemSpider JVGBTTIJPBFLTE-UHFFFAOYSA-N
Wikipedia Spiroxatrine
iPHACE KECXYAR8

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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