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4-(二甲氨基)-N-[7-(羟基氨基)-7-氧庚]苯甲酰胺CAS号: 251456-60-7分子式: C16H25N3O3 分子量: 307.39IUPAC Name: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamideSMILES: CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NOInChIKey: MXWDSZWTBOCWBK-UHFFFAOYSA-NInChI: 1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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氯硝柳胺CAS号: 50-65-7 EC号: 200-056-8, 215-811-7分子式: C13H8Cl2N2O4 分子量: 327.12IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OInChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-NInChI: 1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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SB-203580,p38 MAPK抑制剂CAS号: 152121-47-6 Compound CID : 176155分子式: C21H16FN3OS 分子量: 377.43IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridineSMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)FInChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-NInChI: 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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酪氨酸磷酸化抑制剂A9CAS号: 10537-47-0 Compound CID : 5614分子式: C18H22N2O 分子量: 282.38IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrileSMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#NInChIKey: MZOPWQKISXCCTP-UHFFFAOYSA-NInChI: 1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3
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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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Tubastatin A盐酸盐CAS号: 1310693-92-5 Compound CID : 57336514分子式: C20H21N3O2.HCl 分子量: 371.86IUPAC Name: N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide;hydrochlorideSMILES: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO.ClInChIKey: LJTSJTWIMOGKRJ-UHFFFAOYSA-NInChI: 1S/C20H21N3O2.ClH/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25;/h2-9,25H,10-13H2,1H3,(H,21,24);1H
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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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DuP 697,环氧合酶2(COX-2)抑制剂CAS号: 88149-94-4分子式: C17H12BrFO2S2 分子量: 411.3IUPAC Name: 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiopheneSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)Br)C3=CC=C(C=C3)FInChIKey: AJFTZWGGHJXZOB-UHFFFAOYSA-NInChI: 1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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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+
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百里酚酞分子式: C28H30O4 分子量: 430.54IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-oneSMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)OInChIKey: LDKDGDIWEUUXSH-UHFFFAOYSA-NInChI: 1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
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