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Ligand

NameN-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Molecular formulaC17H15NO5
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight313.309
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.3
SynonymsMLS000529000
AC1MDHGP
AC1Q5OUI
Cambridge id 7351216
Oprea1_545688
[ Show all ]
Inchi KeyAHFYTKJFWHIEBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15NO5/c19-17(16-9-20-12-3-1-2-4-14(12)23-16)18-8-11-5-6-13-15(7-11)22-10-21-13/h1-7,16H,8-10H2,(H,18,19)
PubChem CID2811292
ChEMBLCHEMBL1330686
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
463549Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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