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Ligand

NameSMR000062656
Molecular formulaC19H25N3O2S
IUPAC nameN-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
Molecular weight359.488
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsMLS000036029
AKOS034464643
N-benzyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
HMS2333F05
Z56902017
[ Show all ]
Inchi KeyABMIXYHMUMERIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25N3O2S/c1-4-8-16-11-17(23)21-19(20-16)25-13-18(24)22(14(2)3)12-15-9-6-5-7-10-15/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H,20,21,23)
PubChem CID135415543
ChEMBLCHEMBL1445298
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
957Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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