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Ligand

Name52516-30-0
Molecular formulaC9H10F3N
IUPAC name2-[3-(trifluoromethyl)phenyl]ethanamine
Molecular weight189.181
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.1
SynonymsPhenethylamine, m-trifluoromethyl-
X-3181
2-(3-(trifluoromethyl)phenyl)ethanamine
2-[3-(trifluoromethyl)phenyl]ethan-1-amine
3-trifluoromethyl-phen-ethyl-amine
[ Show all ]
Inchi KeyBPVYCXMGJPKOTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2
PubChem CID104223
ChEMBLCHEMBL448523
IUPHARN/A
BindingDB50262796
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
29950Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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