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Ligand

NameCHEMBL298618
Molecular formulaC28H36ClNO9
IUPAC namebis(2-ethoxyethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight566.044
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.8
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-ethoxyethyl) ester
Inchi KeyDHVRZWGUXZXISF-XXBNENTESA-N
Inchi IDInChI=1S/C28H36ClNO9/c1-4-34-11-13-36-26(32)28(27(33)37-14-12-35-5-2)38-24-10-9-20(16-25(24)39-28)15-19(3)30-18-23(31)21-7-6-8-22(29)17-21/h6-10,16-17,19,23,30-31H,4-5,11-15,18H2,1-3H3/t19-,23+/m1/s1
PubChem CID44300552
ChEMBLCHEMBL298618
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
60410Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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