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Ligand

NameSMR000008535
Molecular formulaC21H21N3O3S2
IUPAC name(2E,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1-ethylquinolin-2-ylidene)-1,3-oxazolidin-4-one
Molecular weight427.537
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
Synonyms(2E,5E)-3-ethyl-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-(1-ethylquinolin-2-ylidene)-1,3-oxazolidin-4-one
3-Ethyl-2-[3-ethyl-4-oxo-2-thioxo-thiazolidin-(5E)-ylidene]-5-[1-ethyl-1H-quinolin-(2E)-ylidene]-oxazolidin-4-one
3-ethyl-5-[3-ethyl-5-(1-ethyl(2-hydroquinolylidene))-4-oxo(1,3-oxazolidin-2-yl idene)]-2-thioxo-1,3-thiazolidin-4-one
AC1MJUDH
AKOS000730638
[ Show all ]
Inchi KeyAFZHBOCOJJHNFN-RGNITQOASA-N
Inchi IDInChI=1S/C21H21N3O3S2/c1-4-22-14-10-8-7-9-13(14)11-12-15(22)16-18(25)23(5-2)20(27-16)17-19(26)24(6-3)21(28)29-17/h7-12H,4-6H2,1-3H3/b16-15+,20-17+
PubChem CID3098236
ChEMBLCHEMBL1736239
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
4650Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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