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Ligand

NameMLS000679069
Molecular formulaC13H18N2O2S
IUPAC nameethyl 2-[(E)-dimethylaminomethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Molecular weight266.359
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.5
SynonymsCHEMBL3198343
MolPort-000-223-216
MolPort-019-736-731
HMS1587C01
STL306003
[ Show all ]
Inchi KeyAEZXGOOZIUWETC-RIYZIHGNSA-N
Inchi IDInChI=1S/C13H18N2O2S/c1-4-17-13(16)11-9-6-5-7-10(9)18-12(11)14-8-15(2)3/h8H,4-7H2,1-3H3/b14-8+
PubChem CID9586827
ChEMBLCHEMBL3198343
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463370Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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