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DNA-PK
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NU7026,可逆的DNA-PK抑制剂CAS号: 154447-35-5分子式: C17H15NO3 分子量: 281.31IUPAC Name: 2-morpholin-4-ylbenzo[h]chromen-4-oneSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3InChIKey: KKTZALUTXUZPSN-UHFFFAOYSA-NInChI: 1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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PIK-75,p110αPI3K抑制剂CAS号: 372196-77-5 Compound CID : 45265864分子式: C16H14BrN5O4S·HCl 分子量: 488.74IUPAC Name: N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide;hydrochlorideSMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=C3N2C=C(C=C3)Br.ClInChIKey: VOUDEIAYNKZQKM-MYHMWQFYSA-NInChI: 1S/C16H14BrN5O4S.ClH/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16;/h3-10H,1-2H3;1H/b19-9+;
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PI-103,PI3K 和 mTOR 抑制剂CAS号: 371935-74-9分子式: C19H16N4O3 分子量: 348.36IUPAC Name: 3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenolSMILES: C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)OInChIKey: TUVCWJQQGGETHL-UHFFFAOYSA-NInChI: 1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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PIK-90,PI3Kα/γ/δ抑制剂CAS号: 677338-12-4 Compound CID : 135398491分子式: C18H17N5O3 分子量: 351.36IUPAC Name: N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamideSMILES: COC1=C(C2=NC(=NC(=O)C3=CN=CC=C3)N4CCNC4=C2C=C1)OCInChIKey: FCKJZIRDZMVDEM-UHFFFAOYSA-NInChI: 1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10,20H,8-9H2,1-2H3
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Torin 2,mTOR抑制剂CAS号: 1223001-51-1 Compound CID : 51358113分子式: C24H15F3N4O 分子量: 432.4IUPAC Name: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-oneSMILES: C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)FInChIKey: GUXXEUUYCAYESJ-UHFFFAOYSA-NInChI: 1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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NU7441(KU-57788),DNA-PK抑制剂CAS号: 503468-95-9分子式: C25H19NO3S 分子量: 413.49IUPAC Name: 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-oneSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56InChIKey: JAMULYFATHSZJM-UHFFFAOYSA-NInChI: 1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
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KU-0060648,DNA-PK和PI 3-K双重抑制剂CAS号: 881375-00-4分子式: C33H34N4O4S 分子量: 582.71IUPAC Name: 2-(4-ethylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamideSMILES: CCN1CCN(CC1)CC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5OC(=CC6=O)N7CCOCC7InChIKey: AATCBLYHOUOCTO-UHFFFAOYSA-NInChI: 1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
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2-吗啉代-8-苯基色酮CAS号: 154447-36-6分子式: C19H17NO3 分子量: 307.35IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-oneSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4InChIKey: CZQHHVNHHHRRDU-UHFFFAOYSA-NInChI: 1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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2-吗啉基-4H-嘧啶并[2,1-a]异喹啉-4-酮CAS号: 168425-64-7分子式: C16H15N3O2 分子量: 281.32IUPAC Name: 2-morpholin-4-ylpyrimido[2,1-a]isoquinolin-4-oneSMILES: C1COCCN1C2=CC(=O)N3C=CC4=CC=CC=C4C3=N2InChIKey: BVRDQVRQVGRNHG-UHFFFAOYSA-NInChI: 1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2
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LY-294,002盐酸盐CAS号: 934389-88-5分子式: C19H18ClNO3 分子量: 343.8IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-one;hydrochlorideSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.ClInChIKey: OQZQSRICUOWBLW-UHFFFAOYSA-NInChI: 1S/C19H17NO3.ClH/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13H,9-12H2;1H
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VX-984CAS号: 1476074-39-1 Compound CID : 72188357分子式: C23H21D2N7O 分子量: 415.497IUPAC Name: 8-[(2S)-1-[[6-(4,6-dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamideSMILES: CC1=NC=C(C=N1)C2=CC(=NC=N2)NCC(C)C3=CC=CC4=C(C=CN=C43)C(=O)NCInChIKey: PEACIOGDEQRHFA-KIYKJNLWSA-NInChI: 1S/C23H23N7O/c1-14(17-5-4-6-18-19(23(31)24-3)7-8-25-22(17)18)10-28-21-9-20(29-13-30-21)16-11-26-15(2)27-12-16/h4-9,11-14H,10H2,1-3H3,(H,24,31)(H,28,29,30)/t14-/m1/s1/i11D,12D
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LY 294002(DMSO溶液)CAS号: 154447-36-6分子式: C19H17NO3 分子量: 307.35IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-oneSMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4InChIKey: CZQHHVNHHHRRDU-UHFFFAOYSA-NInChI: 1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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