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  1. XMD8-92,ERK5 / BMK1抑制剂
    CAS号: 1234480-50-2        Compound CID : 46843772
    分子式: C26H30N6O3        分子量: 474.57
    IUPAC Name: 2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
    SMILES: CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C
    InChIKey: QAPAJIZPZGWAND-UHFFFAOYSA-N
    InChI: 1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
  2. NU 6140,Cdk2抑制剂
    CAS号: 444723-13-1
    分子式: C23H30N6O2        分子量: 422.52
    IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N,N-diethylbenzamide
    SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3
    InChIKey: XHEQSRJCJTWWAH-UHFFFAOYSA-N
    InChI: 1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)
  3. XMD8-92
    CAS号: 1234480-50-2        Compound CID : 46843772
    分子式: C26H30N6O3        分子量: 474.57
    IUPAC Name: 2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
    SMILES: CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C
    InChIKey: QAPAJIZPZGWAND-UHFFFAOYSA-N
    InChI: 1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
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