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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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BetaxololCAS号 : 63659-18-7(DMSO)分子式: C18H29NO3 分子量: 307.43SMILES: CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
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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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JNJ-38877605CAS号 : 943540-75-8(DMSO)分子式: C19H13F2N7 分子量: 377.35SMILES: C[N]1C=C(C=N1)C2=N[N]3C(=NN=C3C(F)(F)C4=CC5=C(C=C4)N=CC=C5)C=C2
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MirabegronCAS号 : 223673-61-8(DMSO)分子式: C21H24N4O2S 分子量: 396.51SMILES: NC1=NC(=CS1)CC(=O)NC2=CC=C(CCNCC(O)C3=CC=CC=C3)C=C2
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Nilotinib (AMN-107)CAS号 : 641571-10-0(DMSO)分子式: C28H22F3N7O 分子量: 529.52SMILES: CC1=C[N](C=N1)C2=CC(=CC(=C2)C(F)(F)F)NC(=O)C3=CC=C(C)C(=C3)NC4=NC=CC(=N4)C5=CN=CC=C5
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克莱拉尼CAS号 : 670220-88-9(DMSO)分子式: C26H29N5O2 分子量: 443.54SMILES: CC1(COC1)COC2=CC3=C(C=C2)[N](C=N3)C4=NC5=C(C=CC=C5C=C4)N6CCC(N)CC6
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帕西替尼（SB1518）CAS号 : 937272-79-2(DMSO)分子式: C28H32N4O3 分子量: 472.58SMILES: C1CCN(C1)CCOC2=CC=C3NC4=NC=CC(=N4)C5=CC(=CC=C5)COC\C=C\COCC2=C3
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沃利替尼CAS号 : 1313725-88-0(DMSO)分子式: C17H15N9 分子量: 345.36SMILES: CC([N]1N=NC2=NC=C(N=C12)C3=C[N](C)N=C3)C4=C[N]5C=CN=C5C=C4
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贝特芬太罗CAS号 : 743461-65-6分子式: C40H42ClN5O7 分子量: 740.24IUPAC Name: [1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-5-methoxyanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamateSMILES: COC1=CC(=C(C=C1CNCC(C2=C3C=CC(=O)NC3=C(C=C2)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6InChIKey: URWYQGVSPQJGGB-DHUJRADRSA-NInChI: InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1
