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Ligand

NameMLS001236764
Molecular formulaC17H16FN3O3S2
IUPAC name2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Molecular weight393.451
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM96795
MolPort-003-154-188
2-[(7-fluoro-1,1-diketo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-phenethyl-acetamide
cid_7386906
2-[[7-fluoranyl-1,1-bis(oxidanylidene)-4H-1,2,4-benzothiadiazin-3-yl]sulfanyl]-N-(2-phenylethyl)ethanamide
[ Show all ]
Inchi KeyADBVETNOWQEIHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16FN3O3S2/c18-13-6-7-14-15(10-13)26(23,24)21-17(20-14)25-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
PubChem CID7386906
ChEMBLCHEMBL1434899
IUPHARN/A
BindingDB96795
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2114Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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