ATM/ATR
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AZ20,ATR抑制剂CAS号 : 1233339-22-4 Compound CID : 46244454分子式: C21H24N4O3S 分子量: 412.51IUPAC Name: (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholineSMILES: CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4InChIKey: SCGCBAAYLFTIJU-CQSZACIVSA-NInChI: InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
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NU6027,ATR/CDK抑制剂CAS号 : 220036-08-8 Compound CID : 398148分子式: C11H17N5O2 分子量: 251.28IUPAC Name: 6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamineSMILES: C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NInChIKey: DGWXOLHKVGDQLN-UHFFFAOYSA-NInChI: InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)
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CP-466722,ATM抑制剂CAS号 : 1080622-86-1 Compound CID : 44551660分子式: C17H15N7O2 分子量: 349.35IUPAC Name: 2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amineSMILES: COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OCInChIKey: ILBRKJBKDGCSCB-UHFFFAOYSA-NInChI: InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)
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CGK 733,ATR和ATM激酶抑制剂CAS号 : 905973-89-9 Compound CID : 6605258分子式: C23H18Cl3FN4O3S 分子量: 555.84IUPAC Name: 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamideSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]InChIKey: HLCDNLNLQNYZTK-UHFFFAOYSA-NInChI: InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)
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ETP-46464,mTOR 和 ATR 抑制剂CAS号 : 1345675-02-6 Compound CID : 72199292分子式: C30H22N4O2 分子量: 470.52IUPAC Name: 2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrileSMILES: CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3COC2=O)C5=CC6=CC=CC=C6N=C5InChIKey: DPLMXAYKJZOTKO-UHFFFAOYSA-NInChI: InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
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KU-55933(ATM激酶抑制剂)CAS号 : 587871-26-9 Compound CID : 5278396分子式: C21H17NO3S2 分子量: 395.49IUPAC Name: 2-morpholin-4-yl-6-thianthren-1-ylpyran-4-oneSMILES: C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4InChIKey: XRKYMMUGXMWDAO-UHFFFAOYSA-NInChI: InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
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贝索塞替尼CAS号 : 1232416-25-9 Compound CID : 59472121分子式: C24H25N5O3S 分子量: 463.55IUPAC Name: 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amineSMILES: CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)NInChIKey: JZCWLJDSIRUGIN-UHFFFAOYSA-NInChI: InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
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Mirin,MRN-ATM复合抑制剂CAS号 : 299953-00-7分子式: C10H8N2O2S 分子量: 220.25SMILES: O=C2NC(=N)S/C2=C\c1ccc(O)cc1
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Mirin,MRN-ATM通路抑制剂CAS号 : 1198097-97-0 Compound CID : 137319711分子式: C10H8N2O2S 分子量: 220.25IUPAC Name: (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-oneSMILES: C1=CC(=CC=C1C=C2C(=O)NC(=N)S2)OInChIKey: YBHQCJILTOVLHD-YVMONPNESA-NInChI: InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-
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LNT 1,皮瓣内切核酸酶1(FEN1)抑制剂CAS号 : 824983-91-7 Compound CID : 11652865分子式: C15H12N2O5S 分子量: 332.33IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-hydroxythieno[3,2-d]pyrimidine-2,4-dioneSMILES: C1C(OC2=CC=CC=C2O1)CN3C4=C(C(=O)N(C3=O)O)SC=C4InChIKey: MXQGCMQXTPTJJT-UHFFFAOYSA-NInChI: InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2
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AZ 5704,ATM激酶抑制剂CAS号 : 1941214-06-7 Compound CID : 130470684分子式: C23H23FN6O2 分子量: 434.47IUPAC Name: 7-fluoro-6-[6-(methoxymethyl)pyridin-3-yl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]quinoline-3-carboxamideSMILES: CC(C1=NN(C=C1)C)NC2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)COC)F)C(=O)NInChIKey: XHNKFGYYGPLYPT-ZDUSSCGKSA-NInChI: InChI=1S/C23H23FN6O2/c1-13(20-6-7-30(2)29-20)28-22-17-8-16(14-4-5-15(12-32-3)26-10-14)19(24)9-21(17)27-11-18(22)23(25)31/h4-11,13H,12H2,1-3H3,(H2,25,31)(H,27,28)/t13-/m0/s1
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KU 60019CAS号 : 925701-46-8 Compound CID : 15953870分子式: C30H33N3O5S 分子量: 547.67IUPAC Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamideSMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-NInChI: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+