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  1. 普纳替尼 (AP24534)
    CAS号 : 943319-70-8        Compound CID : 24826799
    分子式: C29H27F3N6O        分子量: 532.57
    IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
    SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
    InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N
    InChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
  2. GSK-J1,H3K27组蛋白脱甲基酶抑制剂
    CAS号 : 1373422-53-7        Compound CID : 56963315
    分子式: C22H23N5O2        分子量: 389.46
    IUPAC Name: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
    SMILES: C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4
    InChIKey: AVZCPICCWKMZDT-UHFFFAOYSA-N
    InChI: InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
  3. GSK583,RIPK2抑制剂
    CAS号 : 1346547-00-9        Compound CID : 67469084
    分子式: C20H19FN4O2S        分子量: 398.45
    IUPAC Name: 6-tert-butylsulfonyl-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine
    SMILES: CC(C)(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1)NC3=NNC4=C3C=C(C=C4)F
    InChIKey: XLOGLWKOHPIJLV-UHFFFAOYSA-N
    InChI: InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
  4. TAK-632
    CAS号 : 1228591-30-7        Compound CID : 46209401
    分子式: C27H18F4N4O3S        分子量: 554.52
    IUPAC Name: N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
    SMILES: C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N
    InChIKey: OJFKUJDRGJSAQB-UHFFFAOYSA-N
    InChI: InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)
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