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Ligand

NameCHEMBL240996
Molecular formulaC23H26F3N3O
IUPAC name2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-3H-isoindol-1-one
Molecular weight417.476
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50216044
2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)butyl)-1-isoindolinone
Inchi KeyCROXIASATJXZSZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26F3N3O/c24-23(25,26)19-7-5-8-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-17-18-6-1-2-9-21(18)22(29)30/h1-2,5-9,16H,3-4,10-15,17H2
PubChem CID44436308
ChEMBLCHEMBL240996
IUPHARN/A
BindingDB50216044
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48978D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
48977D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
48976D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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