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Ligand

NameMLS000775763
Molecular formulaC21H16F2N2O5S
IUPAC nameN-[4-(difluoromethylsulfanyl)phenyl]-5-(2-hydroxy-5-methoxybenzoyl)-2-iminopyran-3-carboxamide
Molecular weight446.425
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.6
SynonymsCHEBI:112676
N-[4-(difluoromethylsulfanyl)phenyl]-5-(2-hydroxy-5-methoxybenzoyl)-2-iminopyran-3-carboxamide
ZINC9579682
2-azanylidene-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-(5-methoxy-2-oxidanyl-phenyl)carbonyl-pyran-3-carboxamide
cid_2432552
[ Show all ]
Inchi KeyJOLCWSYBUSOJKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16F2N2O5S/c1-29-13-4-7-17(26)15(9-13)18(27)11-8-16(19(24)30-10-11)20(28)25-12-2-5-14(6-3-12)31-21(22)23/h2-10,21,24,26H,1H3,(H,25,28)
PubChem CID2432552
ChEMBLCHEMBL1453924
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
155978Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
155977Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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