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Ligand

Namemethyl 2,2-dimethyl-3-phenylpropanoate
Molecular formulaC12H16O2
IUPAC namemethyl 2,2-dimethyl-3-phenylpropanoate
Molecular weight192.258
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.9
Synonymsmethyl 2,2-dimethyl-3-phenylpropionate
alpha,alpha-Dimethylbenzenepropionic acid methyl ester
DTXSID10372987
14248-22-7
JWHXQYRCZPZNCW-UHFFFAOYSA-N
[ Show all ]
Inchi KeyJWHXQYRCZPZNCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16O2/c1-12(2,11(13)14-3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
PubChem CID2753379
ChEMBLCHEMBL3729047
IUPHARN/A
BindingDBN/A
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
526118Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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