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Ligand

NameCHEMBL187308
Molecular formulaC20H19ClFN3O2
IUPAC name2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1,2-benzoxazol-5-yl]benzamide
Molecular weight387.839
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50156409
2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-benzo[d]isoxazol-5-yl]-benzamide
Inchi KeyKVIHIAIJXYTYLJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19ClFN3O2/c1-25-8-6-12(7-9-25)19-16-11-14(3-5-18(16)27-24-19)23-20(26)15-4-2-13(22)10-17(15)21/h2-5,10-12H,6-9H2,1H3,(H,23,26)
PubChem CID11372635
ChEMBLCHEMBL187308
IUPHARN/A
BindingDB50156409
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
1791555-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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