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木利替尼CAS号: 366017-09-6分子式: C25H23F3N4O2 分子量: 468.47IUPAC Name: 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazoleSMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)FInChIKey: ZTFBIUXIQYRUNT-MDWZMJQESA-NInChI: 1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+
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2,5-二羟基肉桂酸甲酯CAS号: 63177-57-1分子式: C10H10O4 分子量: 194.18IUPAC Name: methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoateSMILES: COC(=O)C=CC1=C(C=CC(=C1)O)OInChIKey: BQCNSTFWSKOWMA-GORDUTHDSA-NInChI: 1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
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氯硝柳胺CAS号: 50-65-7 EC号: 200-056-8, 215-811-7分子式: C13H8Cl2N2O4 分子量: 327.12IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OInChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-NInChI: 1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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氯化两面针碱CAS号: 13063-04-2分子式: C21H18ClNO4 分子量: 383.82IUPAC Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chlorideSMILES: C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]InChIKey: QLDAACVSUMUMOR-UHFFFAOYSA-MInChI: 1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
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NVP-BSK805CAS号: 1092499-93-8分子式: C27H28F2N6O 分子量: 490.55IUPAC Name: 4-[[2,6-difluoro-4-[3-(1-piperidin-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholineSMILES: C1CNCCC1N2C=C(C=N2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCOCC6)FInChIKey: IBPVXAOOVUAOKJ-UHFFFAOYSA-NInChI: 1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2
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硝呋太尔CAS号: 4936-47-4分子式: C10H11N3O5S 分子量: 285.28IUPAC Name: 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-oneSMILES: CSCC1CN(C(=O)O1)N=CC2=CC=C(O2)[N+](=O)[O-]InChIKey: SRQKTCXJCCHINN-NYYWCZLTSA-NInChI: 1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
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硝呋齐特CAS号: 965-52-6分子式: C12H9N3O5 分子量: 275.22IUPAC Name: 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamideSMILES: C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])OInChIKey: YCWSUKQGVSGXJO-NTUHNPAUSA-NInChI: 1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
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来那替尼 (HKI-272)CAS号: 698387-09-6分子式: C30H29ClN6O3 分子量: 557.04IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamideSMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)CInChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-NInChI: 1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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氯硝柳胺CAS号: 50-65-7 EC号: 200-056-8, 215-811-7分子式: C13H8Cl2N2O4 分子量: 327.12IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OInChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-NInChI: 1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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人参二醇CAS号: 19666-76-3分子式: C30H52O3 分子量: 460.7IUPAC Name: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diolSMILES: CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)CInChIKey: PVLHOJXLNBFHDX-XHJPDDKBSA-NInChI: 1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
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