PARP
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EB 47,PARP-1 抑制剂CAS号 : 1190332-25-2 Compound CID : 124080891分子式: C24H29Cl2N9O6 分子量: 610.4IUPAC Name: 2-[4-[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperazin-1-yl]-N-(1-oxo-2,3-dihydroisoindol-4-yl)acetamide;dihydrochlorideSMILES: C1CN(CCN1CC(=O)NC2=CC=CC3=C2CNC3=O)C(=O)C4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O.Cl.ClInChIKey: VVMQSDIMNDTMII-LLGQWWOSSA-NInChI: InChI=1S/C24H27N9O6.2ClH/c25-20-16-21(28-10-27-20)33(11-29-16)24-18(36)17(35)19(39-24)23(38)32-6-4-31(5-7-32)9-15(34)30-14-3-1-2-12-13(14)8-26-22(12)37;;/h1-3,10-11,17-19,24,35-36H,4-9H2,(H,26,37)(H,30,34)(H2,25,27,28);2*1H/t17-,18?,19+,24-;;/m1../s1
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瑞卡帕布樟脑磺酸盐CAS号 : 1859053-21-6 Compound CID : 121490161分子式: C29H34FN3O5S 分子量: 555.66IUPAC Name: [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-oneSMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2InChIKey: INBJJAFXHQQSRW-STOWLHSFSA-NInChI: InChI=1S/C19H18FN3O.C10H16O4S/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24);7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.1/s1
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PARPi-FL,荧光PARP抑制剂CAS号 : 1380359-84-1 Compound CID : 70697686分子式: C34H32BF3N6O3 分子量: 640.46IUPAC Name: 4-[[3-[4-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-oneSMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)N4CCN(CC4)C(=O)C5=C(C=CC(=C5)CC6=NNC(=O)C7=CC=CC=C76)F)C)C)(F)FInChIKey: IGUTVNUEFKPBGK-UHFFFAOYSA-NInChI: InChI=1S/C34H32BF3N6O3/c1-21-17-22(2)43-31(21)20-25-9-8-24(44(25)35(43,37)38)10-12-32(45)41-13-15-42(16-14-41)34(47)28-18-23(7-11-29(28)36)19-30-26-5-3-4-6-27(26)33(46)40-39-30/h3-9,11,17-18,20H,10,12-16,19H2,1-2H3,(H,40,46)
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OUL35分子式: C14H12N2O3 分子量: 256.26IUPAC Name: 4-(4-carbamoylphenoxy)benzamideSMILES: C1=CC(=CC=C1C(=O)N)OC2=CC=C(C=C2)C(=O)NInChIKey: XZRCQWLPMXFGHE-UHFFFAOYSA-NInChI: InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
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H10,PARP14抑制剂CAS号 : 2084811-68-5 Compound CID : 122707115分子式: C24H27N7O7S 分子量: 557.58IUPAC Name: 3-[2-[4-[2-[[4-(3-carbamoylanilino)-4-oxobutanoyl]amino]ethyl]triazol-1-yl]ethylsulfamoyl]benzoic acidSMILES: C1=CC(=CC(=C1)NC(=O)CCC(=O)NCCC2=CN(N=N2)CCNS(=O)(=O)C3=CC=CC(=C3)C(=O)O)C(=O)NInChIKey: MUOMSHSMJCWQFH-UHFFFAOYSA-NInChI: InChI=1S/C24H27N7O7S/c25-23(34)16-3-1-5-18(13-16)28-22(33)8-7-21(32)26-10-9-19-15-31(30-29-19)12-11-27-39(37,38)20-6-2-4-17(14-20)24(35)36/h1-6,13-15,27H,7-12H2,(H2,25,34)(H,26,32)(H,28,33)(H,35,36)
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BYK 49187,PARP-1和PARP-2抑制剂CAS号 : 163120-31-8 Compound CID : 15285131分子式: C19H21N5O 分子量: 335.4IUPAC Name: 2-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-oneSMILES: CC1=C(N=CN1)C2CCN(CC2)C3=NC4=CC=CC5=C4N3CCC5=OInChIKey: YKJJROIKVYSPDH-UHFFFAOYSA-NInChI: InChI=1S/C19H21N5O/c1-12-17(21-11-20-12)13-5-8-23(9-6-13)19-22-15-4-2-3-14-16(25)7-10-24(19)18(14)15/h2-4,11,13H,5-10H2,1H3,(H,20,21)
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N-[2-羟基-3-(1-哌啶基)丙氧基] -3-吡啶羧酰亚胺二盐酸盐CAS号 : 66611-37-8 Compound CID : 9884807分子式: C14H22N4O2•2HCl 分子量: 351.27IUPAC Name: N'-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochlorideSMILES: C1CCN(CC1)CC(CON=C(C2=CN=CC=C2)N)O.Cl.ClInChIKey: ISGGVCWFTPTHIX-UHFFFAOYSA-NInChI: InChI=1S/C14H22N4O2.2ClH/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18;;/h4-6,9,13,19H,1-3,7-8,10-11H2,(H2,15,17);2*1H
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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: InChI=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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4',5,7-三甲氧基黄酮分子式: C18H16O5 分子量: 312.32IUPAC Name: 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-oneSMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OCInChIKey: ZXJJBDHPUHUUHD-UHFFFAOYSA-NInChI: InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
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BMN 673CAS号 : 1207454-56-5 Compound CID : 135743681分子式: C19H14F2N6O 分子量: 380.35IUPAC Name: 7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-oneSMILES: CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)FInChIKey: HWGQMRYQVZSGDQ-UHFFFAOYSA-NInChI: InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)
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BYK204165CAS号 : 1104546-89-5 Compound CID : 25113764分子式: C15H12N2O2 分子量: 252.27IUPAC Name: (4Z)-4-[(1-methylpyrrol-2-yl)methylidene]isoquinoline-1,3-dioneSMILES: CN1C=CC=C1C=C2C3=CC=CC=C3C(=O)NC2=OInChIKey: BTYSIDSTHDDAJW-LCYFTJDESA-NInChI: InChI=1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9-
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Nudifloramide-d3CAS号 : 1207384-48-2 Compound CID : 71751269分子式: C7H5D3N2O2 分子量: 155.17IUPAC Name: 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamideSMILES: CN1C=C(C=CC1=O)C(=O)NInChIKey: JLQSXXWTCJPCBC-FIBGUPNXSA-NInChI: InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)/i1D3