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  1. JMV 449,Bcr-Abl/Lyn酪氨酸激酶的有效双重抑制剂
    CAS号 : 859212-16-1        Compound CID : 11387605
    分子式: C30H31F3N8O        分子量: 576.62
    IUPAC Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
    SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5
    InChIKey: ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
    InChI: InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1
  2. NS 398
    CAS号 : 123653-11-2        Compound CID : 4553
    分子式: C13H18N2O5S        分子量: 314.36
    IUPAC Name: N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
    SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2
    InChIKey: KTDZCOWXCWUPEO-UHFFFAOYSA-N
    InChI: InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
  3. 7,4'-二羟基黄酮
    CAS号 : 2196-14-7        Compound CID : 5282073
    分子式: C15H10O4        分子量: 254.24
    IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
    SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O
    InChIKey: LCAWNFIFMLXZPQ-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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