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Ligand

NameSMR000033466
Molecular formulaC21H23FN4O4
IUPAC name2-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
Molecular weight414.437
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.8
SynonymsAC1MMCJ2
MLS000047455
CHEMBL1372166
MolPort-004-664-100
HMS2306P12
[ Show all ]
Inchi KeyAHRJZNZFSBOQKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23FN4O4/c22-15-1-3-16(4-2-15)23-20(27)12-25-7-9-26(10-8-25)13-21(28)24-17-5-6-18-19(11-17)30-14-29-18/h1-6,11H,7-10,12-14H2,(H,23,27)(H,24,28)
PubChem CID3236610
ChEMBLCHEMBL1372166
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
5824Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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