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Ligand

NameN'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Molecular formulaC9H10N2O3
IUPAC nameN'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Molecular weight194.19
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.0
SynonymsCTK2I4504
85084-37-3
Maybridge3_004093
CTK8A6131
AC1LDC2K
[ Show all ]
Inchi KeyAINNARSDQRBELY-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H10N2O3/c10-9(11-12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,12H,5H2,(H2,10,11)
PubChem CID645715
ChEMBLCHEMBL167380
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
6382Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332

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