小分子
选项
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Alisertib (MLN8237)CAS号 : 1028486-01-2(DMSO)分子式: C27H20ClFN4O4 分子量: 518.92SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=C(N=C(NC4=CC(=C(C=C4)C(O)=O)OC)N=C3)C5=C2C=C(Cl)C=C5
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CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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Entrectinib (RXDX-101)CAS号 : 1108743-60-7(DMSO)分子式: C31H34F2N6O2 分子量: 560.64SMILES: CN1CCN(CC1)C2=CC=C(C(=O)NC3=N[NH]C4=C3C=C(CC5=CC(=CC(=C5)F)F)C=C4)C(=C2)NC6CCOCC6
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Fedratinib (TG101348)CAS号 : 936091-26-8(DMSO)分子式: C27H36N6O3S 分子量: 524.68SMILES: CC1=C(NC2=CC=CC(=C2)[S](=O)(=O)NC(C)(C)C)N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=C1
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GSK1838705ACAS号 : 1116235-97-2(DMSO)分子式: C27H29FN8O3 分子量: 532.57SMILES: CNC(=O)C1=C(F)C=CC=C1NC2=C3C=C[NH]C3=NC(=N2)NC4=C(OC)C=C5CCN(C(=O)CN(C)C)C5=C4
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TAE226 (NVP-TAE226)CAS号 : 761437-28-9(DMSO)分子式: C23H25ClN6O3 分子量: 468.94SMILES: CNC(=O)C1=C(NC2=C(Cl)C=NC(=N2)NC3=C(OC)C=C(C=C3)N4CCOCC4)C=CC=C1
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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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Tofacitinib (CP-690550)CAS号 : 477600-75-2(DMSO)分子式: C16H20N6O 分子量: 312.37SMILES: CC1CCN(CC1N(C)C2=C3C=C[NH]C3=NC=N2)C(=O)CC#N
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劳拉替尼CAS号 : 1454846-35-5(DMSO)分子式: C21H19FN6O2 分子量: 406.41SMILES: CC1OC2=C(N)N=CC(=C2)C3=C(C#N)[N](C)N=C3CN(C)C(=O)C4=C1C=C(F)C=C4
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BMS 911543CAS号 : 1271022-90-2分子式: C23H28N8O 分子量: 432.53IUPAC Name: N,N-dicyclopropyl-7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamideSMILES: CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6InChIKey: JCINBYQJBYJGDM-UHFFFAOYSA-NInChI: InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)