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Ligand

NameCHEMBL3098237
Molecular formulaC23H30N6O4S
IUPAC name(1S,2S,3R,5S)-3-[7-(2,3-dihydro-1H-inden-2-ylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular weight486.591
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.9
SynonymsN/A
Inchi KeyOTJXPXIDZHZBCX-LCLWPZTBSA-N
Inchi IDInChI=1S/C23H30N6O4S/c1-2-9-34-23-25-21(24-15-10-13-5-3-4-6-14(13)11-15)18-22(26-23)29(28-27-18)16-12-17(33-8-7-30)20(32)19(16)31/h3-6,15-17,19-20,30-32H,2,7-12H2,1H3,(H,24,25,26)/t16-,17+,19+,20-/m1/s1
PubChem CID71607590
ChEMBLCHEMBL3098237
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
451539P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343

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