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表观遗传学
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MK-4827( 尼拉帕尼)CAS号: 1038915-60-4分子式: C19H20N4O 分子量: 320.39IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamideSMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)NInChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-NInChI: 1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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奥拉帕尼 (AZD2281, Ku-0059436)CAS号: 763113-22-0 EC号: 642-941-5分子式: C24H23FN4O3 分子量: 434.46IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-oneSMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)FInChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-NInChI: 1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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PJ34,PARPl/2 抑制剂CAS号: 344458-19-1分子式: C17H17N3O2 分子量: 295.34IUPAC Name: 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamideSMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32InChIKey: UYJZZVDLGDDTCL-UHFFFAOYSA-NInChI: 1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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3,5,7,8-四氢-2-[4-(三氟甲基)苯基]-4H-硫代吡喃并[4,3-d]嘧啶-4-酮CAS号: 284028-89-3 Compound CID : 135418940分子式: C14H11F3N2OS 分子量: 312.31IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-oneSMILES: C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)FInChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-NInChI: 1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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氯化白屈菜红碱分子式: C21H18NO4.Cl 分子量: 383.82IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chlorideSMILES: C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]InChIKey: WEEFNMFMNMASJY-UHFFFAOYSA-MInChI: 1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
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盐酸白屈菜红碱分子式: C21H18NO4.Cl 分子量: 383.82IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chlorideSMILES: C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]InChIKey: WEEFNMFMNMASJY-UHFFFAOYSA-MInChI: 1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
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4-氨基-N-(2-二乙氨基乙基)苯甲酰胺分子式: C13H21N3O 分子量: 235.33IUPAC Name: 4-amino-N-[2-(diethylamino)ethyl]benzamideSMILES: CCN(CC)CCNC(=O)C1=CC=C(C=C1)NInChIKey: REQCZEXYDRLIBE-UHFFFAOYSA-NInChI: 1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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AZ 6102,TNKS1 / 2抑制剂CAS号: 1645286-75-4 Compound CID : 135905416分子式: C25H28N6O 分子量: 428.53IUPAC Name: 2-[4-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl]phenyl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-oneSMILES: CC1CN(CC(N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4InChIKey: WCPTUQOMNJBIET-CALCHBBNSA-NInChI: 1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+
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