spiroxatrine

Ligand id: 53

Name: spiroxatrine

Structure and Physico-chemical Properties

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

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
spiroxamide
Database Links
BindingDB Ligand 50020192
CAS Registry No. 1054-88-2 (source: Scifinder)
ChEMBL Ligand CHEMBL300555
PubChem CID 5268
Search Google for chemical match using the InChIKey JVGBTTIJPBFLTE-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey JVGBTTIJPBFLTE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JVGBTTIJPBFLTE
Wikipedia Spiroxatrine