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Ligand

NameCHEMBL293350
Molecular formulaC32H44ClNO9
IUPAC namebis(2-butoxyethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight622.152
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP5.5
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(2-butoxyethyl) ester
Inchi KeyKJCHKGANNQGNTF-KCWPFWIISA-N
Inchi IDInChI=1S/C32H44ClNO9/c1-4-6-13-38-15-17-40-30(36)32(31(37)41-18-16-39-14-7-5-2)42-28-12-11-24(20-29(28)43-32)19-23(3)34-22-27(35)25-9-8-10-26(33)21-25/h8-12,20-21,23,27,34-35H,4-7,13-19,22H2,1-3H3/t23-,27+/m1/s1
PubChem CID44300460
ChEMBLCHEMBL293350
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
170359Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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