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Ligand

NameCHEMBL293763
Molecular formulaC36H48ClNO7
IUPAC namebis[(1-methylcyclohexyl)methyl] 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight642.23
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP8.9
Synonyms5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(1-methyl-cyclohexylmethyl) ester
IHCBHCYLHOVQST-IRPSRAIASA-N
5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(1-methylcyclohexylmethyl) ester
Inchi KeyIHCBHCYLHOVQST-IRPSRAIASA-N
Inchi IDInChI=1S/C36H48ClNO7/c1-25(38-22-29(39)27-11-10-12-28(37)21-27)19-26-13-14-30-31(20-26)45-36(44-30,32(40)42-23-34(2)15-6-4-7-16-34)33(41)43-24-35(3)17-8-5-9-18-35/h10-14,20-21,25,29,38-39H,4-9,15-19,22-24H2,1-3H3/t25-,29+/m1/s1
PubChem CID44300590
ChEMBLCHEMBL293763
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
133075Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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