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Ligand

NameCHEMBL57450
Molecular formulaC36H52ClNO7
IUPAC namedioctyl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight646.262
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP10.2
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid dioctyl ester
Inchi KeyCAXFOOLGTVUCAK-JOMNFKBKSA-N
Inchi IDInChI=1S/C36H52ClNO7/c1-4-6-8-10-12-14-21-42-34(40)36(35(41)43-22-15-13-11-9-7-5-2)44-32-20-19-28(24-33(32)45-36)23-27(3)38-26-31(39)29-17-16-18-30(37)25-29/h16-20,24-25,27,31,38-39H,4-15,21-23,26H2,1-3H3/t27-,31+/m1/s1
PubChem CID44300085
ChEMBLCHEMBL57450
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37600Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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