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Ligand

Nameethyl 2-amino-4-(3-(trifluoromethyl)phenyl)thiophene-3-carboxylate
Molecular formulaC14H12F3NO2S
IUPAC nameethyl 2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
Molecular weight315.31
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsKB-272495
ACN-045603
CHEMBL404690
1018830-98-2
SCHEMBL3974980
[ Show all ]
Inchi KeyAFZMELADLMEJDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H12F3NO2S/c1-2-20-13(19)11-10(7-21-12(11)18)8-4-3-5-9(6-8)14(15,16)17/h3-7H,2,18H2,1H3
PubChem CID28104938
ChEMBLCHEMBL404690
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
4653Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326

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