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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. 克立咪唑
    CAS号 : 442-52-4        Compound CID : 2782
    分子式: C19H20ClN3        分子量: 325.84
    IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
    SMILES: C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl
    InChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
  3. YM-58483 (BTP2)
    CAS号 : 223499-30-7        Compound CID : 2455
    分子式: C15H9F6N5OS        分子量: 421.32
    IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
    SMILES: CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F
    InChIKey: XPRZIORDEVHURQ-UHFFFAOYSA-N
    InChI: InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)
  4. YM-58483 (BTP2)
    CAS号 : 223499-30-7        Compound CID : 2455
    分子式: C15H9F6N5OS        分子量: 421.32
    IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
    SMILES: CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F
    InChIKey: XPRZIORDEVHURQ-UHFFFAOYSA-N
    InChI: InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)
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