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Ligand

NameCHEMBL3794174
Molecular formulaC18H19ClFNO2
IUPAC name(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
Molecular weight335.803
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50156955
Inchi KeyAGYGTYMOSGAOBE-INIZCTEOSA-N
Inchi IDInChI=1S/C18H19ClFNO2/c19-17-7-6-14(10-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
PubChem CID127053219
ChEMBLCHEMBL3794174
IUPHARN/A
BindingDB50156955
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
521617D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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