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AM1241CAS号 : 444912-48-5(DMSO)分子式: C22H22IN3O3 分子量: 503.33SMILES: CN1CCCCC1C[N]2C=C(C(=O)C3=CC(=CC=C3I)[N+]([O-])=O)C4=C2C=CC=C4
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AZ 3146CAS号 : 1124329-14-1(DMSO)分子式: C24H32N6O3 分子量: 452.55SMILES: COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)N3C4CCCC4)C=CC(=C1)OC5CCN(C)CC5
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BMS202（PD-1 / PD-L1抑制剂2）CAS号 : 1675203-84-5(DMSO)分子式: C25H29N3O3 分子量: 419.52SMILES: COC1=C(CNCCNC(C)=O)C=CC(=N1)OCC2=C(C)C(=CC=C2)C3=CC=CC=C3
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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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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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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GW842166XCAS号 : 666260-75-9(DMSO)分子式: C18H17Cl2F3N4O2 分子量: 449.25SMILES: FC(F)(F)C1=NC(=NC=C1C(=O)NCC2CCOCC2)NC3=CC=C(Cl)C=C3Cl
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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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Rimonabant (SR141716)CAS号 : 168273-06-1(DMSO)分子式: C22H21Cl3N4O 分子量: 463.79SMILES: CC1=C([N](N=C1C(=O)NN2CCCCC2)C3=CC=C(Cl)C=C3Cl)C4=CC=C(Cl)C=C4
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AM630CAS号 : 164178-33-0分子式: C23H25IN2O3 分子量: 504.36IUPAC Name: [6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanoneSMILES: CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)I)C(=O)C4=CC=C(C=C4)OCInChIKey: JHOTYHDSLIUKCJ-UHFFFAOYSA-NInChI: InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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Bay 59-3074CAS号 : 406205-74-1分子式: C18H13F6NO4S 分子量: 453.35IUPAC Name: [3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl] 4,4,4-trifluorobutane-1-sulfonateSMILES: C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)OC2=CC=CC(=C2C#N)C(F)(F)FInChIKey: LWUSZIVDPJPVBW-UHFFFAOYSA-NInChI: InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
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MPI-0479605CAS号 : 1246529-32-7分子式: C22H29N7O 分子量: 407.51IUPAC Name: 6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamineSMILES: CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4InChIKey: OVJBNYKNHXJGSA-UHFFFAOYSA-NInChI: InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
