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表观遗传学
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(S)-N-(3-(3,4-二氢异喹啉-2 (1H)-基)-2-羟基丙基)-6-(氧杂坦-3-基氨基)嘧啶-4-甲酰胺CAS号: 1616391-65-1分子式: C20H25N5O3 分子量: 383.44IUPAC Name: N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamideSMILES: C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC(=NC=N3)NC4COC4)OInChIKey: ZKXZLIFRWWKZRY-KRWDZBQOSA-NInChI: 1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1
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EPZ015866(GSK591),精氨酸甲基转移酶PRMT5 / MEP50复合物抑制剂CAS号: 1616391-87-7分子式: C22H28N4O2 分子量: 380.5IUPAC Name: 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamideSMILES: C1CC(C1)NC2=NC=CC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)OInChIKey: TWKYXZSXXXKKJU-FQEVSTJZSA-NInChI: 1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
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Onametostat (JNJ-64619178)CAS号: 2086772-26-9分子式: C22H23BrN6O2 分子量: 483.36IUPAC Name: (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diolSMILES: C1C(C(C(C1N2C=CC3=C(N=CN=C32)N)O)O)CCC4=CC5=NC(=C(C=C5C=C4)Br)NInChIKey: DBSMLQTUDJVICQ-CJODITQLSA-NInChI: 1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1
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Pemrametostat (GSK3326595)CAS号: 1616392-22-3分子式: C24H32N6O3 分子量: 452.55IUPAC Name: 6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamideSMILES: CC(=O)N1CCC(CC1)NC2=NC=NC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)OInChIKey: JLCCNYVTIWRPIZ-NRFANRHFSA-NInChI: 1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1
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LLY-283CAS号: 2040291-27-6分子式: C17H18N4O4 分子量: 342.35IUPAC Name: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diolSMILES: C1=CC=C(C=C1)C(C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O)OInChIKey: WWOOWAHTEXIWBO-QFRSUPTLSA-NInChI: 1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
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EPZ015666CAS号: 1616391-65-1分子式: C20H25N5O3 分子量: 383.44IUPAC Name: N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamideSMILES: C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC(=NC=N3)NC4COC4)OInChIKey: ZKXZLIFRWWKZRY-KRWDZBQOSA-NInChI: 1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1
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EPZ015866 (GSK591)CAS号: 1616391-87-7分子式: C22H28N4O2 分子量: 380.5IUPAC Name: 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamideSMILES: C1CC(C1)NC2=NC=CC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)OInChIKey: TWKYXZSXXXKKJU-FQEVSTJZSA-NInChI: 1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
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LLY-283CAS号: 2040291-27-6分子式: C17H18N4O4 分子量: 342.35IUPAC Name: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diolSMILES: C1=CC=C(C=C1)C(C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O)OInChIKey: WWOOWAHTEXIWBO-QFRSUPTLSA-NInChI: 1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
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MRTX1719CAS号: 2630904-44-6 Compound CID : 156151242IUPAC Name: 2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-2-methylpyrazol-3-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrileSMILES: NCc1c2c(ccc(c3c(c4c(C#N)c(OC5CC5)cc(Cl)c4F)n(C)nc3)c2)c(=O)[nH]n1InChIKey: BZKIOORWZAXIBA-UHFFFAOYSA-NInChI: 1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)
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