小分子
选项
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7-Cl-O-Nec1CAS号 : 852391-15-2(DMSO)分子式: C13H12ClN3O2 分子量: 277.71SMILES: CN1C(=O)NC(CC2=C[NH]C3=C(Cl)C=CC=C23)C1=O
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CFI-400945CAS号 : 1338806-73-7(DMSO)分子式: C33H34N4O3 分子量: 534.65SMILES: COC1=CC2=C(NC(=O)C23CC3C4=CC=C5C(=C4)[NH]N=C5\C=C\C6=CC=C(CN7CC(C)OC(C)C7)C=C6)C=C1
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Cabozantinib (BMS-907351)CAS号 : 849217-68-1(DMSO)分子式: C28H24FN3O5 分子量: 501.51SMILES: COC1=CC2=C(C=C1OC)C(=CC=N2)OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3
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Crizotinib (PF-02341066)CAS号 : 877399-52-5分子式: C21H22Cl2FN5O 分子量: 450.34IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amineSMILES: CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)NInChIKey: KTEIFNKAUNYNJU-GFCCVEGCSA-NInChI: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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Doramapimod (BIRB 796)CAS号 : 285983-48-4(DMSO)分子式: C31H37N5O3 分子量: 527.66SMILES: CC1=CC=C(C=C1)[N]2N=C(C=C2NC(=O)NC3=CC=C(OCCN4CCOCC4)C5=C3C=CC=C5)C(C)(C)C
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Foretinib (GSK1363089)CAS号 : 849217-64-7(DMSO)分子式: C34H34F2N4O6 分子量: 632.65SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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Ponatinib (AP24534)CAS号 : 943319-70-8(DMSO)分子式: C29H27F3N6O 分子量: 532.56SMILES: CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F
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TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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TW-37CAS号 : 877877-35-5(DMSO)分子式: C33H35NO6S 分子量: 573.7SMILES: CC(C)C1=CC=CC=C1CC2=CC(=C(O)C(=C2O)O)C(=O)NC3=CC=C(C=C3)[S](=O)(=O)C4=C(C=CC=C4)C(C)(C)C
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Tie2激酶抑制剂CAS号 : 948557-43-5(DMSO)分子式: C26H21N3O2S 分子量: 439.53SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C3=C(N=C([NH]3)C4=CC=C(C=C4)[S](C)=O)C5=CC=NC=C5
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瑞格非尼CAS号 : 755037-03-7(DMSO)分子式: C21H15ClF4N4O3 分子量: 482.82SMILES: CNC(=O)C1=CC(=CC=N1)OC2=CC(=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)F