化学生物学
选项
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1,5-二(4-甲氧苯基)戊-1,4-二烯-3-酮分子式: C19H18O3 分子量: 294.34IUPAC Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-oneSMILES: COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OCInChIKey: IOZVKDXPBWBUKY-LQIBPGRFSA-NInChI: InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+
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1-苄基-4-(5,6-二甲氧基-1-氧杂茚满-2-基茚甲基)哌啶CAS号 : 120014-07-5 Compound CID : 10762160分子式: C24H27NO3 分子量: 377.5IUPAC Name: (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OCInChIKey: LPMOTUSFDTTWJL-UDWIEESQSA-NInChI: InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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2,4-二羟基吡咯[2,3-d]嘧啶CAS号 : 39929-79-8 Compound CID : 11819216分子式: C6H5N3O2 分子量: 151.1IUPAC Name: 1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dioneSMILES: C1=CNC2=C1C(=O)NC(=O)N2InChIKey: HASUWNAFLUMMFI-UHFFFAOYSA-NInChI: InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
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外消旋托法替尼CAS号 : 1259404-17-5 Compound CID : 9926791分子式: C16H20N6O 分子量: 312.377IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-NInChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1