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尼罗替尼 (AMN-107)CAS号: 641571-10-0分子式: C28H22F3N7O 分子量: 529.53IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamideSMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-NInChI: 1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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花旗松素分子式: C15H12O7 分子量: 304.25IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-oneSMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OInChIKey: CXQWRCVTCMQVQX-LSDHHAIUSA-NInChI: 1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
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鹰嘴豆芽素A分子式: C16H12O5 分子量: 284.26IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OInChIKey: WUADCCWRTIWANL-UHFFFAOYSA-NInChI: 1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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鹰嘴豆芽素A分子式: C16H12O5 分子量: 284.26IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OInChIKey: WUADCCWRTIWANL-UHFFFAOYSA-NInChI: 1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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3,4-二羟基苯甲酸乙酯CAS号: 3943-89-3分子式: C9H10O4 分子量: 182.18IUPAC Name: ethyl 3,4-dihydroxybenzoateSMILES: CCOC(=O)C1=CC(=C(C=C1)O)OInChIKey: KBPUBCVJHFXPOC-UHFFFAOYSA-NInChI: 1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
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橙皮素CAS号: 520-33-2分子式: C16H14O6 分子量: 302.29IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-NInChI: 1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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橙皮素CAS号: 520-33-2分子式: C16H14O6 分子量: 302.29IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-NInChI: 1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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伊马替尼CAS号: 152459-95-5分子式: C29H31N7O 分子量: 493.6IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamideSMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-NInChI: 1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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