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Ligand

NameMLS001171581
Molecular formulaC20H25NO5
IUPAC name1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone
Molecular weight359.422
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.3
SynonymsAC1NI63K
cid_16248356
1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone;oxalic acid
BDBM96778
1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]-3-methoxy-phenyl]ethanone;oxalic acid
[ Show all ]
Inchi KeyAFDOVFBOEGXHJE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25NO5/c1-14(22)16-8-9-19(20(10-16)25-2)26-13-17(23)11-21-12-18(24)15-6-4-3-5-7-15/h3-10,17-18,21,23-24H,11-13H2,1-2H3
PubChem CID4851071
ChEMBLN/A
IUPHARN/A
BindingDB96778
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
4058Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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