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Ligand

NameCHEMBL58635
Molecular formulaC26H28ClNO11
IUPAC namebis(acetyloxymethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight565.956
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP3.3
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(acetoxymethyl) ester
Inchi KeyHVCKQHOQLXAGQU-VFNWGFHPSA-N
Inchi IDInChI=1S/C26H28ClNO11/c1-15(28-12-21(31)19-5-4-6-20(27)11-19)9-18-7-8-22-23(10-18)39-26(38-22,24(32)36-13-34-16(2)29)25(33)37-14-35-17(3)30/h4-8,10-11,15,21,28,31H,9,12-14H2,1-3H3/t15-,21+/m1/s1
PubChem CID44300364
ChEMBLCHEMBL58635
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
124841Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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