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Ligand

NameCHEMBL61201
Molecular formulaC28H32ClNO11
IUPAC namebis(2-ethoxy-2-oxoethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight594.01
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP3.9
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-oxo-2-ethoxyethyl) ester
Inchi KeyCSHDSXPBHMSYNW-UTKZUKDTSA-N
Inchi IDInChI=1S/C28H32ClNO11/c1-4-36-24(32)15-38-26(34)28(27(35)39-16-25(33)37-5-2)40-22-10-9-18(12-23(22)41-28)11-17(3)30-14-21(31)19-7-6-8-20(29)13-19/h6-10,12-13,17,21,30-31H,4-5,11,14-16H2,1-3H3/t17-,21+/m1/s1
PubChem CID44300273
ChEMBLCHEMBL61201
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
49462Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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