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AR-42,HDAC抑制剂CAS号: 935881-37-1分子式: C18H20N2O3 分子量: 312.36IUPAC Name: N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamideSMILES: CC(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NOInChIKey: LAMIXXKAWNLXOC-INIZCTEOSA-NInChI: 1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
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PCI-34051,HDAC8抑制剂CAS号: 950762-95-5分子式: C17H16N2O3 分子量: 296.32IUPAC Name: N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamideSMILES: COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NOInChIKey: AJRGHIGYPXNABY-UHFFFAOYSA-NInChI: 1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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帕比司他CAS号: 404950-80-7分子式: C21H23N3O2 分子量: 349.44IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamideSMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NOInChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-NInChI: 1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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PCI-24781(Abexinostat),广谱组蛋白去酰基化酶(HDAC)抑制剂CAS号: 783355-60-2分子式: C21H23N3O5 分子量: 397.42IUPAC Name: 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamideSMILES: CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NOInChIKey: MAUCONCHVWBMHK-UHFFFAOYSA-NInChI: 1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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埃格列净CAS号: 1210344-57-2分子式: C22H25ClO7 分子量: 436.88IUPAC Name: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)ClInChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-NInChI: 1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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Pracinostat (SB939),HDAC抑制剂CAS号: 929016-96-6分子式: C20H30N4O2 分子量: 358.48IUPAC Name: (E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamideSMILES: CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NOInChIKey: JHDKZFFAIZKUCU-ZRDIBKRKSA-NInChI: 1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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根皮苷分子式: C21H24O10 分子量: 436.45IUPAC Name: 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-oneSMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)OInChIKey: IOUVKUPGCMBWBT-QNDFHXLGSA-NInChI: 1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
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Romidepsin,HDAC1和HDAC2抑制剂CAS号: 128517-07-7 Compound CID : 5352062分子式: C24H36N4O6S2 分子量: 540.7IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentoneSMILES: CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)CInChIKey: OHRURASPPZQGQM-GCCNXGTGSA-NInChI: See more
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Scriptaid,HDAC抑制剂CAS号: 287383-59-9 Compound CID : 5186分子式: C18H18N2O4 分子量: 326.35IUPAC Name: 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamideSMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NOInChIKey: JTDYUFSDZATMKU-UHFFFAOYSA-NInChI: 1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
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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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N-羟基-N'-苯基辛二酰胺CAS号: 149647-78-9 Compound CID : 5311分子式: C14H20N2O3 分子量: 264.32IUPAC Name: N'-hydroxy-N-phenyloctanediamideSMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOInChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-NInChI: 1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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卡格列净CAS号: 842133-18-0分子式: C24H25FO5S 分子量: 444.52IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)FInChIKey: XTNGUQKDFGDXSJ-ZXGKGEBGSA-NInChI: 1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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