Name: hCAIX/XII-IN-4
Rating: 5 (10 reviews)

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HIT ID:HIT104804574
Cas No:1119200-33-7
常用名:hCAIX/XII-IN-4
IUPAC:7-{[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy}-4-methyl-2H-chromen-2-one
IUPAC:7-{[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy}-4-methyl-2H-chromen-2-one
InChI key:PHKWAXXKGPPHRF-UHFFFAOYSA-N

分子式:C20H16N2O5
分子量:364.357
氢键供体数 (HBD):0
氢键受体数 (HBA):5
LogP:3.504
SMILES:COc1ccc(cc1)-c1nc(COc2ccc3c(C)cc(=O)oc3c2)no1
SMILES:COc1ccc(cc1)-c1nc(COc2ccc3c(C)cc(=O)oc3c2)no1

hCAIX/XII-IN-4 (compound 6c) is a highly potent inhibitor of CAIX/XII. It exhibits Ki values of 4.5 nM, 23.6 nM, >10000 nM, and >10000 nM for CAXII, CAIX, CAI, and CAⅡ, respectively [1].

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