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代谢酶/蛋白酶

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  1. APD668
    CAS号: 832714-46-2
    分子式: C21H24FN5O5S        分子量: 477.51
    IUPAC Name: propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
    SMILES: CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F
    InChIKey: XTRUQJBVQBUKSQ-UHFFFAOYSA-N
    InChI: 1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
  2. APD668
    CAS号: 832714-46-2
    分子式: C21H24FN5O5S        分子量: 477.51
    IUPAC Name: propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
    SMILES: CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F
    InChIKey: XTRUQJBVQBUKSQ-UHFFFAOYSA-N
    InChI: 1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
  3. 1-硬脂酰-sn-甘油-3-磷酸胆碱
    CAS号: 19420-57-6
    分子式: C26H54NO7P        分子量: 523.683
    IUPAC Name: [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
    InChIKey: IHNKQIMGVNPMTC-RUZDIDTESA-N
    InChI: 1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
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