表观遗传学
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5-氮杂-2'-脱氧胞苷分子式: C8H12N4O4 分子量: 228.21IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-oneSMILES: C1C(C(OC1N2C=NC(=NC2=O)N)CO)OInChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-NInChI: 1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
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ASP3026,间变性间变性淋巴瘤激酶(ALK)抑制剂CAS号: 1097917-15-1分子式: C29H40N8O3S 分子量: 580.74IUPAC Name: 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamineSMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OCInChIKey: MGGBYMDAPCCKCT-UHFFFAOYSA-NInChI: 1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
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L-苏-二氢鞘氨醇(d18:0)CAS号: 15639-50-6分子式: C18H39NO2 分子量: 301.51IUPAC Name: (2S,3S)-2-aminooctadecane-1,3-diolSMILES: CCCCCCCCCCCCCCCC(C(CO)N)OInChIKey: OTKJDMGTUTTYMP-ROUUACIJSA-NInChI: 1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
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左乙拉西坦CAS号: 102767-28-2分子式: C8H14N2O2 分子量: 170.21IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamideSMILES: CCC(C(=O)N)N1CCCC1=OInChIKey: HPHUVLMMVZITSG-LURJTMIESA-NInChI: 1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
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杨梅苷CAS号: 17912-87-7 EC号: 241-856-7分子式: C21H20O12 分子量: 464.38IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-oneSMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)OInChIKey: DCYOADKBABEMIQ-OWMUPTOHSA-NInChI: 1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1
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MI-2,Menin-MLL 相互作用抑制剂CAS号: 1271738-62-5分子式: C18H25N5S2 分子量: 375.55IUPAC Name: 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidineSMILES: CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)CInChIKey: SRQYLNYQAPCPIR-UHFFFAOYSA-NInChI: 1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
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