repinotan

Ligand id: 95

Name: repinotan

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 84.09
Molecular weight 400.15
XLogP 3.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[[(2R)-chroman-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
International Nonproprietary Names
INN number INN
7600 repinotan
Database Links
CAS Registry No. 144980-29-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1614652
PubChem CID 198757
Search Google for chemical match using the InChIKey YGYBFMRFXNDIPO-QGZVFWFLSA-N
Search Google for chemicals with the same backbone YGYBFMRFXNDIPO
Search PubMed clinical trials repinotan
Search PubMed titles repinotan
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Search UniChem for chemical match using the InChIKey YGYBFMRFXNDIPO-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone YGYBFMRFXNDIPO
Wikipedia Repinotan