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表观遗传学
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GSK-J4,细组蛋白脱甲基酶JMJD3 / UTX抑制剂CAS号: 1373423-53-0分子式: C24H27N5O2 分子量: 417.51IUPAC Name: ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoateSMILES: CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3InChIKey: WBKCKEHGXNWYMO-UHFFFAOYSA-NInChI: 1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)
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GSK-J1,H3K27组蛋白脱甲基酶抑制剂CAS号: 1373422-53-7分子式: C22H23N5O2 分子量: 389.46IUPAC Name: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acidSMILES: C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4InChIKey: AVZCPICCWKMZDT-UHFFFAOYSA-NInChI: 1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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PBIT,JARID1(Jumonji AT-Rich交互式域1)抑制剂分子式: C14H11NOS 分子量: 241.31IUPAC Name: 2-(4-methylphenyl)-1,2-benzothiazol-3-oneSMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2InChIKey: KRXMYBAZKJBJAB-UHFFFAOYSA-NInChI: 1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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GSK467CAS号: 1628332-52-4分子式: C17H13N5O2 分子量: 319.32IUPAC Name: 2-(1-benzylpyrazol-4-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-oneSMILES: C1=CC=C(C=C1)CN2C=C(C=N2)OC3=NC4=C(C=CN=C4)C(=O)N3InChIKey: ZTYRLXUTLYBVHH-UHFFFAOYSA-NInChI: 1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)
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Tazemetostat (EPZ-6438)CAS号: 1403254-99-8 Compound CID : 66558664分子式: C34H44N4O4 分子量: 572.74IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamideSMILES: CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5InChIKey: NSQSAUGJQHDYNO-UHFFFAOYSA-NInChI: See more
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EED226CAS号: 2083627-02-3分子式: C17H15N5O3S 分子量: 369.4IUPAC Name: N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amineSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4InChIKey: DYIRSNMPIZZNBK-UHFFFAOYSA-NInChI: 1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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MAK683CAS号: 1951408-58-4分子式: C20H17FN6O 分子量: 376.39IUPAC Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amineSMILES: CC1=C(C=CC=N1)C2=CN=C(N3C2=NN=C3)NCC4=C(C=CC5=C4CCO5)FInChIKey: XLIBABIFOBYHSV-UHFFFAOYSA-NInChI: 1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)
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EED226CAS号: 2083627-02-3分子式: C17H15N5O3S 分子量: 369.4IUPAC Name: N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amineSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4InChIKey: DYIRSNMPIZZNBK-UHFFFAOYSA-NInChI: 1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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GSK-J1CAS号: 1373422-53-7分子式: C22H23N5O2 分子量: 389.46IUPAC Name: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acidSMILES: C1CN(CCC2=CC=CC=C21)C3=NC(=NC(=C3)NCCC(=O)O)C4=CC=CC=N4InChIKey: AVZCPICCWKMZDT-UHFFFAOYSA-NInChI: 1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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GSK-J4CAS号: 1373423-53-0分子式: C24H27N5O2 分子量: 417.51IUPAC Name: ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoateSMILES: CCOC(=O)CCNC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=CC=CC=C4CC3InChIKey: WBKCKEHGXNWYMO-UHFFFAOYSA-NInChI: 1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)
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