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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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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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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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ClemizoleCAS号 : 442-52-4分子式: C19H20ClN3 分子量: 325.84IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazoleSMILES: C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)ClInChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-NInChI: 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
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GSK2606414CAS号 : 1337531-36-8分子式: C24H20F3N5O 分子量: 451.44IUPAC Name: 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanoneSMILES: CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)FInChIKey: SIXVRXARNAVBTC-UHFFFAOYSA-NInChI: InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
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GSK3145095CAS号 : 1622849-43-7分子式: C20H17F2N5O2 分子量: 397.38IUPAC Name: 5-benzyl-N-[(3S)-7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamideSMILES: C1CC2=C(C(=CC(=C2)F)F)NC(=O)C1NC(=O)C3=NNC(=N3)CC4=CC=CC=C4InChIKey: ATQAGKAMBISZQM-HNNXBMFYSA-NInChI: InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1
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GSK2982772CAS号 : 1622848-92-3分子式: C20H19N5O3 分子量: 377.4IUPAC Name: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamideSMILES: CN1C2=CC=CC=C2OCC(C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4InChIKey: LYPAFUINURXJSG-AWEZNQCLSA-NInChI: InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
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GSK'963CAS号 : 2049868-46-2分子式: C14H18N2O 分子量: 230.31IUPAC Name: 2,2-dimethyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-oneSMILES: CC(C)(C)C(=O)N1C(CC=N1)C2=CC=CC=C2InChIKey: NJQVSLWJBLPTMD-LBPRGKRZSA-NInChI: InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1
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GSK'547CAS号 : 2226735-55-1分子式: C20H18F2N6O 分子量: 396.39IUPAC Name: 6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrileSMILES: C1CN(CCC1C(=O)N2C(CC=N2)C3=CC(=CC(=C3)F)F)C4=NC=NC(=C4)C#NInChIKey: SJVGFKBLUYAEOK-SFHVURJKSA-NInChI: InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1
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GFB-8438CAS号 : 2304549-73-1分子式: C16H14ClF3N4O2 分子量: 386.76IUPAC Name: 5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-oneSMILES: C1CN(C(=O)CN1C2=C(C(=O)NN=C2)Cl)CC3=CC=CC=C3C(F)(F)FInChIKey: MITRKIWBJVJRAM-UHFFFAOYSA-NInChI: InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)
