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Ligand

NameSCHEMBL1704176
Molecular formulaC27H37FN4O
IUPAC name2-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(3-fluoroanilino)piperidin-1-yl]propan-1-one
Molecular weight452.618
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsCHEMBL2364332
Inchi KeyHQMIOCCKYFLZIK-WCRBZPEASA-N
Inchi IDInChI=1S/C27H37FN4O/c1-19-16-31(17-20(2)29-19)18-22-7-9-23(10-8-22)21(3)27(33)32-13-11-25(12-14-32)30-26-6-4-5-24(28)15-26/h4-10,15,19-21,25,29-30H,11-14,16-18H2,1-3H3/t19-,20+,21?
PubChem CID15984243
ChEMBLCHEMBL2364332
IUPHARN/A
BindingDBN/A
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
121520Motilin receptorO43193MLNRHomo sapiens (Human)412

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