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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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1-萘基PP1CAS号 : 221243-82-9分子式: C19H19N5 分子量: 317.39IUPAC Name: 1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)NInChIKey: XSHQBIXMLULFEV-UHFFFAOYSA-NInChI: InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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SU 9516,cyclin依赖性激酶（cdk）抑制剂CAS号 : 377090-84-1 Compound CID : 5289419分子式: C13H11N3O2 分子量: 241.25IUPAC Name: (3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-oneSMILES: COC1=CC2=C(C=C1)NC(=O)C2=CC3=CN=CN3InChIKey: QNUKRWAIZMBVCU-WCIBSUBMSA-NInChI: InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
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Cdk2 / 9抑制剂CAS号 : 507487-89-0 Compound CID : 447961分子式: C14H12N6O2S 分子量: 328.35IUPAC Name: 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-amineSMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]InChIKey: DYTKVFHLKPDNRW-UHFFFAOYSA-NInChI: InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
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AT7519CAS号 : 844442-38-2(DMSO)分子式: C16H17Cl2N5O2 分子量: 382.24SMILES: ClC1=CC=CC(=C1C(=O)NC2=C[NH]N=C2C(=O)NC3CCNCC3)Cl
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AZD5438CAS号 : 602306-29-6(DMSO)分子式: C18H21N5O2S 分子量: 371.46SMILES: CC(C)[N]1C(=NC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)[S](C)(=O)=O)C
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BMS-265246CAS号 : 582315-72-8(DMSO)分子式: C18H17F2N3O2 分子量: 345.34SMILES: CCCCOC1=C2C=N[NH]C2=NC=C1C(=O)C3=C(F)C=C(C)C=C3F
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BX-795CAS号 : 702675-74-9(DMSO)分子式: C23H26IN7O2S 分子量: 591.47SMILES: IC1=CN=C(NC2=CC(=CC=C2)NC(=O)N3CCCC3)N=C1NCCCNC(=O)C4=CC=CS4
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BX-912CAS号 : 702674-56-4(DMSO)分子式: C20H23BrN8O 分子量: 471.35SMILES: BrC1=CN=C(NC2=CC(=CC=C2)NC(=O)N3CCCC3)N=C1NCCC4=CN=C[NH]4
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Bafetinib (INNO-406)CAS号 : 859212-16-1(DMSO)分子式: C30H31F3N8O 分子量: 576.62SMILES: CN(C)C1CCN(C1)CC2=CC=C(C=C2C(F)(F)F)C(=O)NC3=CC=C(C)C(=C3)NC4=NC=CC(=N4)C5=CN=CN=C5
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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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Dabrafenib (GSK2118436)CAS号 : 1195765-45-7(DMSO)分子式: C23H20F3N5O2S2 分子量: 519.56SMILES: CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(F)C(=CC=C3)N[S](=O)(=O)C4=C(F)C=CC=C4F
