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Ligand

NameCHEMBL445651
Molecular formulaC20H20FN3O2
IUPAC name4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1,2-benzoxazol-5-yl]benzamide
Molecular weight353.397
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
Synonyms4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-benzo[d]isoxazol-5-yl]-benzamide
BDBM50156412
Inchi KeyBLXNRVGVWKPHCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN3O2/c1-24-10-8-13(9-11-24)19-17-12-16(6-7-18(17)26-23-19)22-20(25)14-2-4-15(21)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,22,25)
PubChem CID44395786
ChEMBLCHEMBL445651
IUPHARN/A
BindingDB50156412
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
270875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
270865-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
270895-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
270885-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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