PARP
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5-氨基-1(2H)-异喹啉酮CAS号 : 93117-08-9 Compound CID : 2072分子式: C9H8N2O 分子量: 160.2IUPAC Name: 5-amino-2H-isoquinolin-1-oneSMILES: C1=CC2=C(C=CNC2=O)C(=C1)NInChIKey: SVASVGVAQIVSEZ-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
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1-甲基-6-氧代吡啶-3-甲酰胺CAS号 : 701-44-0分子式: C7H8N2O2 分子量: 152.15IUPAC Name: 1-methyl-6-oxopyridine-3-carboxamideSMILES: CN1C=C(C=CC1=O)C(=O)NInChIKey: JLQSXXWTCJPCBC-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
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二氢卟吩E6CAS号 : 19660-77-6 Compound CID : 5479494分子式: C34H36N4O6 分子量: 596.67IUPAC Name: (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acidSMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)O)C)C)C=C)CInChIKey: OYINILBBZAQBEV-UWJYYQICSA-NInChI: InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35-36H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/t17-,21-/m0/s1
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重楼皂甙ⅦCAS号 : 68124-04-9 Compound CID : 176233分子式: C51H82O21 分子量: 1031.18IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triolSMILES: CC1CCC2(C(C3(C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)O)C)OC1InChIKey: FBFJAXUYHGSVFN-IYUYFXHASA-NInChI: InChI=1S/C51H82O21/c1-20-10-15-50(63-19-20)24(5)51(62)31(72-50)17-29-27-9-8-25-16-26(11-13-48(25,6)28(27)12-14-49(29,51)7)67-47-43(71-45-38(59)35(56)33(54)22(3)65-45)40(61)42(30(18-52)68-47)70-46-39(60)36(57)41(23(4)66-46)69-44-37(58)34(55)32(53)21(2)64-44/h8,20-24,26-47,52-62H,9-19H2,1-7H3/t20-,21+,22+,23+,24-,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51-/m1/s1
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JW55,罐锚酶抑制剂CAS号 : 664993-53-7 Compound CID : 2946601分子式: C25H26N2O5 分子量: 434.48IUPAC Name: N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamideSMILES: COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4InChIKey: ZJZWZIXSGNFWQQ-UHFFFAOYSA-NInChI: InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29)
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盐酸尼拉帕利CAS号 : 1038915-64-8 Compound CID : 44550597分子式: C19H20N4O.HCl 分子量: 356.85IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;hydrochlorideSMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.ClInChIKey: YXYDNYFWAFBCAN-PFEQFJNWSA-NInChI: InChI=1S/C19H20N4O.ClH/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);1H/t14-;/m1./s1
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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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DPQ,PARP-1抑制剂CAS号 : 129075-73-6分子式: C18H26N2O2 分子量: 302.41IUPAC Name: 5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-oneSMILES: C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=OInChIKey: RVOUDNBEIXGHJY-UHFFFAOYSA-NInChI: InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
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氯化氢羟脯氨酸CAS号 : 10605-03-5 Compound CID : 160950分子式: C22H24ClNO4 分子量: 401.88IUPAC Name: 2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chlorideSMILES: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC.[Cl-]InChIKey: WXOSEFNJXIPZNV-UHFFFAOYSA-MInChI: InChI=1S/C22H24NO4.ClH/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23;/h6-7,10-12H,8-9H2,1-5H3;1H/q+1;/p-1
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ME 0328,PARP-3抑制剂CAS号 : 1445251-22-8 Compound CID : 135566764分子式: C19H19N3O2 分子量: 321.37IUPAC Name: 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamideSMILES: CC(C1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3C(=O)N2InChIKey: QIHBWVVVRYYYRO-ZDUSSCGKSA-NInChI: InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1