小分子
选项
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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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Agerafenib (RXDX-105)CAS号 : 1188910-76-0(DMSO)分子式: C24H22F3N5O5 分子量: 517.46SMILES: COC1=CC2=NC=NC(=C2C=C1OC)OC3=CC(=CC=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C(F)(F)F
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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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Furosemide (NSC 269420)CAS号 : 54-31-9(DMSO)分子式: C12H11ClN2O5S 分子量: 330.74SMILES: N[S](=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O
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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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三氯噻嗪CAS号 : 133-67-5(DMSO)分子式: C8H8Cl3N3O4S2 分子量: 380.66SMILES: N[S](=O)(=O)C1=C(Cl)C=C2NC(N[S](=O)(=O)C2=C1)C(Cl)Cl
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伐地考昔CAS号 : 181695-72-7(DMSO)分子式: C16H14N2O3S 分子量: 314.36SMILES: CC1=C(C2=CC=C(C=C2)[S](N)(=O)=O)C(=NO1)C3=CC=CC=C3
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单磷酸氟达拉滨CAS号 : 75607-67-9(DMSO)分子式: C10H13FN5O7P 分子量: 365.21SMILES: NC1=NC(=NC2=C1N=C[N]2C3OC(CO[P](O)(O)=O)C(O)C3O)F
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托吡酯CAS号 : 97240-79-4(DMSO)分子式: C12H21NO8S 分子量: 339.36SMILES: CC1(C)OC2COC3(CO[S](N)(=O)=O)OC(C)(C)OC3C2O1
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达鲁舍替CAS号 : 827318-97-8(DMSO)分子式: C26H30N6O3 分子量: 474.55SMILES: COC(C(=O)N1CC2=C(C1)C(=N[NH]2)NC(=O)C3=CC=C(C=C3)N4CCN(C)CC4)C5=CC=CC=C5
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BAY 57-1293CAS号 : 348086-71-5分子式: C18H18N4O3S2 分子量: 402.49IUPAC Name: N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamideSMILES: CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)NInChIKey: IVZKZONQVYTCKC-UHFFFAOYSA-NInChI: InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)