ritanserin

Ligand id: 97

Name: ritanserin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 48.85
Molecular weight 477.17
XLogP 6.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[2,3-b]pyrimidin-5-one
International Nonproprietary Names
INN number INN
5496 ritanserin
Synonyms
R-55667
Database Links
BindingDB Ligand 50001775
CAS Registry No. 87051-43-2 (source: Scifinder)
ChEBI CHEBI:64195
ChEMBL Ligand CHEMBL267777
PubChem CID 5074
Search Google for chemical match using the InChIKey JUQLTPCYUFPYKE-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey JUQLTPCYUFPYKE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JUQLTPCYUFPYKE
Wikipedia Ritanserin