Name: IDO-IN-11
Rating: 5 (10 reviews)

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HIT ID:HIT212671470
Cas No:1888378-32-2
常用名:IDO-IN-11
IUPAC:(Z)-{[(3-bromo-4-fluorophenyl)amino][4-({2-[(cyanoimino)(methyl)oxo-lambda6-sulfanyl]ethyl}amino)-1,2,5-oxadiazol-3-yl]methylidene}amino 2,2-dimethylbutanoate
IUPAC:(Z)-{[(3-bromo-4-fluorophenyl)amino][4-({2-[(cyanoimino)(methyl)oxo-lambda6-sulfanyl]ethyl}amino)-1,2,5-oxadiazol-3-yl]methylidene}amino 2,2-dimethylbutanoate
InChI key:HZXDVRSHIPIHDQ-UHFFFAOYSA-N

分子式:C19H23BrFN7O4S
分子量:544.4
氢键供体数 (HBD):2
氢键受体数 (HBA):9
LogP:3.3115408
SMILES:CCC(C)(C)C(=O)O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(C)(=O)=NC#N
SMILES:CCC(C)(C)C(=O)O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(C)(=O)=NC#N

IDO-IN-11 is an indoleamine-2,3-dioxygenase (IDO) inhibitor with IC50s of 0.18 μM (Kinase) and 0.014 μM (Hela Cell).

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