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
SMILES / InChI / InChIKey
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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
InChI Key OBWGMKKHCLHVIE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-fluoro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
International Nonproprietary Names Click here for help
INN number INN
5085 fluperlapine
Synonyms Click here for help
C10967
Database Links Click here for help
BindingDB Ligand 50040241
CAS Registry No. 67121-76-0 (source: Scifinder)
ChEMBL Ligand CHEMBL63756
GtoPdb PubChem SID 135650274
PubChem CID 49381
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Wikipedia Fluperlapine