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Ligand

NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Molecular formulaC19H21N5O3
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Molecular weight367.409
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
SynonymsMLS000092452
AKOS001811165
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
HMS2457O07
ZINC4118992
[ Show all ]
Inchi KeyAADMKFJZHGZUOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N5O3/c1-11-15(12(2)24-19(21-11)22-13(3)23-24)5-7-18(25)20-9-14-4-6-16-17(8-14)27-10-26-16/h4,6,8H,5,7,9-10H2,1-3H3,(H,20,25)
PubChem CID3236517
ChEMBLCHEMBL1445423
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
109Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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