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6 项目

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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. 达沙替尼
    CAS号 : 302962-49-8       
    分子式: C22H26ClN7O2S        分子量: 488.01
    IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
    SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
    InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
  3. 异丁司特
    CAS号 : 50847-11-5        Compound CID : 3671
    分子式: C14H18N2O        分子量: 230.31
    IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
    SMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C
    InChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-N
    InChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
  4. 阿普斯特
    CAS号 : 608141-41-9        Compound CID : 11561674
    分子式: C22H24N2O7S        分子量: 460.5
    IUPAC Name: N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
    SMILES: CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC
    InChIKey: IMOZEMNVLZVGJZ-QGZVFWFLSA-N
    InChI: InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1
  5. AN-2728,PDE4和cytokine释放抑制剂
    CAS号 : 906673-24-3        Compound CID : 44591583
    分子式: C14H10BNO3        分子量: 251.05
    IUPAC Name: 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
    SMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)O
    InChIKey: USZAGAREISWJDP-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
  6. 异丁司特
    CAS号 : 50847-11-5        Compound CID : 3671
    分子式: C14H18N2O        分子量: 230.31
    IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
    SMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C
    InChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-N
    InChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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