Name: COX-2-IN-18
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT214436260
Cas No:1038061-96-9
常用名:COX-2-IN-18
IUPAC:4-{2-[2-(ethylsulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]ethyl}benzene-1-sulfonamide
IUPAC:4-{2-[2-(ethylsulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]ethyl}benzene-1-sulfonamide
InChI key:FONDQFJKIULAHB-UHFFFAOYSA-N

分子式:C18H19N3O3S2
分子量:389.49
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCSc1nc2ccccc2c(=O)n1CCc1ccc(cc1)S(N)(=O)=O
SMILES:CCSc1nc2ccccc2c(=O)n1CCc1ccc(cc1)S(N)(=O)=O

COX-2-IN-18 (Compound 3) is a highly effective COX-2 inhibitor with strong inhibitory activity against COX-2 (IC 50 = 0.775 μM). Its potency is comparable to the reference drug Celecoxib (IC 50 = 0.153 μM). This compound, COX-2-IN-18, shows promise in the field of cancer research [1].

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