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5-氮杂-2'-脱氧胞苷分子式: C8H12N4O4 分子量: 228.21IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-oneSMILES: C1C(C(OC1N2C=NC(=NC2=O)N)CO)OInChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-NInChI: 1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
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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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RG108,新型非核苷DNA甲基转移酶抑制剂(DNMT)CAS号: 48208-26-0 Compound CID : 702558分子式: C19H14N2O4 分子量: 334.33IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)OInChIKey: HPTXLHAHLXOAKV-INIZCTEOSA-NInChI: 1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)/t16-/m0/s1
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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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5-氮胞苷分子式: C8H12N4O5 分子量: 244.2IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-oneSMILES: C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)NInChIKey: NMUSYJAQQFHJEW-KVTDHHQDSA-NInChI: 1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
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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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