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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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Apremilast (CC-10004)CAS号 : 608141-41-9(DMSO)分子式: C22H24N2O7S 分子量: 460.5SMILES: CCOC1=C(OC)C=CC(=C1)C(C[S](C)(=O)=O)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(C)=O
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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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咯利普兰CAS号 : 61413-54-5(DMSO)分子式: C16H21NO3 分子量: 275.34SMILES: COC1=C(OC2CCCC2)C=C(C=C1)C3CNC(=O)C3
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罗氟司特CAS号 : 162401-32-3(DMSO)分子式: C17H14Cl2F2N2O3 分子量: 403.21SMILES: FC(F)OC1=CC=C(C=C1OCC2CC2)C(=O)NC3=C(Cl)C=NC=C3Cl
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苏尼替尼CAS号 : 557795-19-4(DMSO)分子式: C22H27FN4O2 分子量: 398.47SMILES: CCN(CC)CCNC(=O)C1=C(C)[NH]C(=C1C)/C=C/2C(=O)NC3=C2C=C(F)C=C3
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AN-2728CAS号 : 906673-24-3分子式: C14H10BNO3 分子量: 251.05IUPAC Name: 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrileSMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)OInChIKey: USZAGAREISWJDP-UHFFFAOYSA-NInChI: InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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异丁司特CAS号 : 50847-11-5分子式: C14H18N2O 分子量: 230.31IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-oneSMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)CInChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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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)
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XL228CAS号 : 898280-07-4 Compound CID : 59757974分子式: C22H31N9O 分子量: 437.54IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamineSMILES: CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5InChIKey: ALKJNCZNEOTEMP-UHFFFAOYSA-NInChI: InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
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RO 20-1724CAS号 : 29925-17-5 Compound CID : 5087分子式: C15H22N2O3 分子量: 278.35IUPAC Name: 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-oneSMILES: CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OCInChIKey: PDMUULPVBYQBBK-UHFFFAOYSA-NInChI: InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
