WB 4101

Ligand Id: 499
Ligand name WB 4101

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 58.18
Molecular weight 421.19
XLogP 5.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
2-(2,6-dimethoxyphenoxy)-N-[[(2R,3R)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine
Synonyms
2-(2,6-dimethoxyphenoxy)-N-[(8-phenyl-7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)methyl]ethanamine
Phendioxan
WB4101
WB-4101
Database Links
ChEBI CHEBI:155039
ChEMBL Ligand 163704, 263597, 155039, 264242
PubChem CID 185453
Search Google for chemical match using the InChIKey UVEKKXRFQCNLQE-DNQXCXABSA-N
Search Google for chemicals with the same backbone UVEKKXRFQCNLQE
ZINC ZINC03785292