roxindole

Ligand Id: 52
Ligand name roxindole

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 39.26
Molecular weight 346.2
XLogP 5.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
International Nonproprietary Names
INN number INN
6279 roxindole
Database Links
BindingDB Ligand 50002173
CAS Registry No. 112192-04-8
ChEBI CHEBI:48558
ChEMBL Ligand CHEMBL431367
PubChem CID 219050
Search Google for chemical match using the InChIKey HGEYJZMMUGWEOT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HGEYJZMMUGWEOT
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Wikipedia Roxindole