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曲古柳菌素A(TSA)CAS号: 58880-19-6 Compound CID : 444732分子式: C17H22N2O3 分子量: 302.37IUPAC Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamideSMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)CInChIKey: RTKIYFITIVXBLE-QEQCGCAPSA-NInChI: 1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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TCN 213,可逆蛋白酶体抑制剂CAS号: 179324-69-7 EC号: 605-854-3分子式: C19H25BN4O4 分子量: 384.24IUPAC Name: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acidSMILES: B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)OInChIKey: GXJABQQUPOEUTA-RDJZCZTQSA-NInChI: 1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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塞来昔布CAS号: 169590-42-5 EC号: 685-962-5分子式: C17H14F3N3O2S 分子量: 381.37IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamideSMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)FInChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-NInChI: 1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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C3,微粒体前列腺素E合酶1（mPGES-1）抑制剂CAS号: 1268709-57-4分子式: C23H34N4O 分子量: 382.54IUPAC Name: N-cyclopentyl-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamideSMILES: CC1=CC2=C(C=C1C)N(C(=N2)N3CCC(CC3)C(=O)NC4CCCC4)C(C)CInChIKey: FPPVJOTXZIRXTF-UHFFFAOYSA-NInChI: 1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28)
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姜黄素分子式: C21H20O6 分子量: 368.38IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dioneSMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)OInChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-NInChI: 1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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(-)-曲古柳菌素ACAS号: 122292-85-7 Compound CID : 13507024分子式: C17H22N2O3 分子量: 302.37IUPAC Name: (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamideSMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)CInChIKey: RTKIYFITIVXBLE-LEJRBOCMSA-NInChI: 1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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贝利司他CAS号: 866323-14-0分子式: C15H14N2O4S 分子量: 318.35IUPAC Name: (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamideSMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NOInChIKey: NCNRHFGMJRPRSK-MDZDMXLPSA-NInChI: 1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
