Name: IDO-IN-9
Rating: 5 (10 reviews)

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HIT ID:HIT212671478
Cas No:1888378-12-8
常用名:IDO-IN-9
IUPAC:(Z)-N-(3-bromo-4-fluorophenyl)-4-({2-[(cyanoimino)(methyl)oxo-lambda6-sulfanyl]ethyl}amino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
IUPAC:(Z)-N-(3-bromo-4-fluorophenyl)-4-({2-[(cyanoimino)(methyl)oxo-lambda6-sulfanyl]ethyl}amino)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
InChI key:GGHPYZYCOWLIBW-UHFFFAOYSA-N

分子式:C13H13BrFN7O3S
分子量:446.26
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:0.92454284
SMILES:CS(=O)(CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N
SMILES:CS(=O)(CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N

IDO-IN-9 is an indoleamine-2,3-dioxygenase (IDO) inhibitor with IC50s of 0.011 μM (Kinase) and 0.0018 μM (Hela Cell).

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