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Ligand

NameSMR000002621
Molecular formulaC24H32N4O3S
IUPAC name2-[[5-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
Molecular weight456.605
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
Synonyms2-[5-(2,3-Dimethyl-phenoxymethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide
AC1LCMC4
MLS000031297
MLS000888380
CHEMBL1566562
[ Show all ]
Inchi KeyAHHFCAUYDSBGNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4O3S/c1-16(2)28(17(3)4)23(29)15-32-24-26-25-22(27(24)13-20-10-8-12-30-20)14-31-21-11-7-9-18(5)19(21)6/h7-12,16-17H,13-15H2,1-6H3
PubChem CID652491
ChEMBLCHEMBL1566562
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
5539Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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