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Darovasertib (LXS-196)CAS号 : 1874276-76-2(DMSO)分子式: C22H23F3N8O 分子量: 472.47SMILES: CC1(N)CCN(CC1)C2=CC=CN=C2NC(=O)C3=NC(=CN=C3N)C4=NC=CC=C4C(F)(F)F
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Linagliptin (BI-1356)CAS号 : 668270-12-0(DMSO)分子式: C25H28N8O2 分子量: 472.54SMILES: CC#CC[N]1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(=N3)C)C(=O)N2C)N5CCCC(N)C5
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PrucaloprideCAS号 : 179474-81-8(DMSO)分子式: C18H26ClN3O3 分子量: 367.87SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(N)C3=C2OCC3)Cl
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Saxagliptin (BMS-477118)CAS号 : 361442-04-8(DMSO)分子式: C18H25N3O2 分子量: 315.41SMILES: NC(C(=O)N1C(CC2CC12)C#N)[C]34CC5[CH2]C(C[C](O)(C5)C3)C4
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Sotrastaurin (AEB071)CAS号 : 425637-18-9(DMSO)分子式: C25H22N6O2 分子量: 438.48SMILES: CN1CCN(CC1)C2=NC(=C3C=CC=CC3=N2)C4=C(C(=O)NC4=O)C5=C[NH]C6=C5C=CC=C6
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Vildagliptin (LAF-237)CAS号 : 274901-16-5(DMSO)分子式: C17H25N3O2 分子量: 303.4SMILES: O[C]12CC3[CH2]C(C1)C[C](C3)(C2)NCC(=O)N4CCCC4C#N
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阿糖腺苷CAS号 : 5536-17-4(DMSO)分子式: C10H13N5O4 分子量: 267.24SMILES: NC1=C2N=C[N](C3OC(CO)C(O)C3O)C2=NC=N1
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阿那格列汀CAS号 : 739366-20-2分子式: C19H25N7O2 分子量: 383.45IUPAC Name: N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamideSMILES: CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N3CCCC3C#NInChIKey: LDXYBEHACFJIEL-HNNXBMFYSA-NInChI: InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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AlogliptinCAS号 : 850649-61-5分子式: C18H21N5O2 分子量: 339.39IUPAC Name: 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrileSMILES: CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)NInChIKey: ZSBOMTDTBDDKMP-OAHLLOKOSA-NInChI: InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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Go 6976CAS号 : 136194-77-9分子式: C24H18N4O 分子量: 378.43IUPAC Name: 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrileSMILES: CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=OInChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-NInChI: InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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甲氧氯普胺CAS号 : 364-62-5分子式: C14H22ClN3O2 分子量: 299.8IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamideSMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)ClInChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-NInChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
