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Ligand

NameCHEMBL58531
Molecular formulaC30H36ClNO9
IUPAC namebis(oxolan-2-ylmethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight590.066
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.2
Synonyms5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(tetrahydro-furan-2-ylmethyl) ester
FPSHVGKMJDSSCL-ONCCDENISA-N
5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(tetrahydrofuran-2-ylmethyl) ester
Inchi KeyFPSHVGKMJDSSCL-ONCCDENISA-N
Inchi IDInChI=1S/C30H36ClNO9/c1-19(32-16-25(33)21-5-2-6-22(31)15-21)13-20-9-10-26-27(14-20)41-30(40-26,28(34)38-17-23-7-3-11-36-23)29(35)39-18-24-8-4-12-37-24/h2,5-6,9-10,14-15,19,23-25,32-33H,3-4,7-8,11-13,16-18H2,1H3/t19-,23?,24?,25+,30?/m1/s1
PubChem CID44300267
ChEMBLCHEMBL58531
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
84319Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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