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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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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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U-104CAS号 : 178606-66-1(DMSO)分子式: C13H12FN3O3S 分子量: 309.32SMILES: N[S](=O)(=O)C1=CC=C(NC(=O)NC2=CC=C(F)C=C2)C=C1
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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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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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来那度胺CAS号 : 191732-72-6(DMSO)分子式: C13H13N3O3 分子量: 259.26SMILES: NC1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1
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阿瓦多米德(CC-122)CAS号 : 1015474-32-4分子式: C14H14N4O3 分子量: 286.29IUPAC Name: 3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dioneSMILES: CC1=NC2=CC=CC(=C2C(=O)N1C3CCC(=O)NC3=O)NInChIKey: RSNPAKAFCAAMBH-UHFFFAOYSA-NInChI: InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)
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BromosporineCAS号 : 1619994-69-2分子式: C17H20N6O4S 分子量: 404.44IUPAC Name: ethyl N-[6-[3-(methanesulfonamido)-4-methylphenyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamateSMILES: CCOC(=O)NC1=CC(=NN2C1=NN=C2C)C3=CC(=C(C=C3)C)NS(=O)(=O)CInChIKey: UYBRROMMFMPJAN-UHFFFAOYSA-NInChI: InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
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BI-7273CAS号 : 1883429-21-7分子式: C20H23N3O3 分子量: 353.41IUPAC Name: 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-oneSMILES: CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)C)OCInChIKey: RBUYFHLQNPJMQM-UHFFFAOYSA-NInChI: InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
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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)
