bitopertin

Ligand id: 7546

Name: bitopertin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 88.19
Molecular weight 543.11
XLogP 4.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
International Nonproprietary Names
INN number INN
9319 bitopertin
Synonyms
paliflutine | RG1678 | RO-4917838
Database Links
CAS Registry No. 845614-11-1
GtoPdb PubChem SID 223365882
PubChem CID 24946690
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Wikipedia Bitopertin
Comments
Bitopertin is represented on ChEMBL by the R-isomer, CHEMBL1169880.