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依布硒CAS号: 60940-34-3分子式: C13H9NOSe 分子量: 274.18IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-oneSMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-NInChI: 1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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S-(5’-腺苷)-L-高半胱氨酸(SAH)分子式: C14H20N6O5S 分子量: 384.41IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acidSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)NInChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-NInChI: 1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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BIX-01294,G9a和G9a样蛋白组蛋白甲基转移酶抑制剂CAS号: 935693-62-2分子式: C28H38N6O2 分子量: 490.64IUPAC Name: N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amineSMILES: CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OCInChIKey: OSXFATOLZGZLSK-UHFFFAOYSA-NInChI: 1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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D-赤型鞘氨醇-1-磷酸CAS号: 26993-30-6分子式: C18H38NO5P 分子量: 379.472IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphateSMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)OInChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-NInChI: 1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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Ponesimod,磷酸鞘氨醇受体激动剂CAS号: 854107-55-4 Compound CID : 11363176分子式: C23H25ClN2O4S 分子量: 460.974IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-oneSMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3CInChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-NInChI: 1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
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塞拉非莫德CAS号: 891859-12-4分子式: C27H33NO4 分子量: 435.564IUPAC Name: 1-[[6-[(2-methoxy-4-propylphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acidSMILES: CCCC1=CC(=C(C=C1)COC2=CC3=C(C=C2)C(=C(CC3)CN4CC(C4)C(=O)O)C)OCInChIKey: QDDQIPUKAXBMBX-UHFFFAOYSA-NInChI: 1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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UNC0646,G9a和GLP抑制剂CAS号: 1320288-17-2 Compound CID : 53315882分子式: C36H59N7O2 分子量: 621.9IUPAC Name: N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amineSMILES: CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C5CCCCC5)OC)OCCCN6CCCCC6InChIKey: OUKWLRHRXOPODD-UHFFFAOYSA-NInChI: 1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
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芬戈莫德CAS号: 162359-55-9分子式: C19H33NO2 分子量: 307.47IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diolSMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)NInChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-NInChI: 1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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西奈芬净(A-9145)CAS号: 58944-73-3 Compound CID : 65482分子式: C15H23N7O5 分子量: 381.39IUPAC Name: (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acidSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)NInChIKey: LMXOHSDXUQEUSF-YECHIGJVSA-NInChI: 1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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UNC0638,可逆的G9和GLP组蛋白甲基转移酶抑制剂CAS号: 1255580-76-7 Compound CID : 46224516分子式: C30H47N5O2 分子量: 509.73IUPAC Name: 2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amineSMILES: CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5InChIKey: QOECJCJVIMVJGX-UHFFFAOYSA-NInChI: 1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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