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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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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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Dasatinib (BMS-354825)CAS号 : 302962-49-8(DMSO)分子式: C22H26ClN7O2S 分子量: 488.01SMILES: CC1=NC(=CC(=N1)N2CCN(CCO)CC2)NC3=NC=C(S3)C(=O)NC4=C(Cl)C=CC=C4C
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Doramapimod (BIRB 796)CAS号 : 285983-48-4(DMSO)分子式: C31H37N5O3 分子量: 527.66SMILES: CC1=CC=C(C=C1)[N]2N=C(C=C2NC(=O)NC3=CC=C(OCCN4CCOCC4)C5=C3C=CC=C5)C(C)(C)C
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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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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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PH-797804CAS号 : 586379-66-0(DMSO)分子式: C22H19BrF2N2O3 分子量: 477.3SMILES: CNC(=O)C1=CC(=C(C)C=C1)N2C(=CC(=C(Br)C2=O)OCC3=CC=C(F)C=C3F)C
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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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SB202190 (FHPI)CAS号 : 152121-30-7(DMSO)分子式: C20H14N3OF 分子量: 331.34SMILES: OC1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=NC=C3)C4=CC=C(F)C=C4
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SB 203580（DMSO溶液）CAS号 : 152121-47-6(DMSO)分子式: C21H16FN3OS 分子量: 377.43SMILES: C[S](=O)C1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=NC=C3)C4=CC=C(F)C=C4
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TAK-715CAS号 : 303162-79-0(DMSO)分子式: C24H21N3OS 分子量: 399.51SMILES: CCC1=NC(=C(S1)C2=CC(=NC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC(=C4)C
