fluperlapine   Click here for help

GtoPdb Ligand ID: 279

Synonyms: C10967
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 18.84
Molecular weight 309.16
XLogP 3.57
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2
Isomeric SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2
InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5085 fluperlapine
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Database Links Click here for help
Specialist databases
GPCRdb Ligand fluperlapine
Other databases
BindingDB Ligand 50040241
CAS Registry No. 67121-76-0 (source: Scifinder)
ChEMBL Ligand CHEMBL63756
GtoPdb PubChem SID 135650274
PubChem CID 49381
Search Google for chemical match using the InChIKey OBWGMKKHCLHVIE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OBWGMKKHCLHVIE
Search PubMed clinical trials fluperlapine
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UniChem Compound Search for chemical match using the InChIKey OBWGMKKHCLHVIE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OBWGMKKHCLHVIE-UHFFFAOYSA-N
Wikipedia Fluperlapine