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  1. 伯舒替尼 (SKI-606)
    CAS号 : 380843-75-4        Compound CID : 5328940
    分子式: C26H29Cl2N5O3        分子量: 530.45
    IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
    SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
    InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N
    InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
  2. PFK15,6-磷酸果糖-2-激酶(PFK)抑制剂
    CAS号 : 4382-63-2        Compound CID : 25142799
    分子式: C17H12N2O        分子量: 260.29
    IUPAC Name: (E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
    SMILES: C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)C3=CC=NC=C3
    InChIKey: UJJUKZPBUMCSJZ-BQYQJAHWSA-N
    InChI: InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+
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