E913

Ligand id: 3500

Name: E913

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 71.11
Molecular weight 483.31
XLogP 4.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-butyl-3-(cyclohexylmethyl)-9-(2,3-dihydro-1,4-benzodioxin-7-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
Synonyms
E 913 | E-913
Database Links
CAS Registry No. 342394-93-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1196395
GtoPdb PubChem SID 178100487
PubChem CID 491774
Search Google for chemical match using the InChIKey VBONNDPACFTZMX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VBONNDPACFTZMX
Search UniChem for chemical match using the InChIKey VBONNDPACFTZMX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VBONNDPACFTZMX