小分子和化合物库
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β-淀粉样蛋白(40-1) 三氟乙酸盐CAS号: 144409-99-4(free base)分子式: C194H295N53O58S(free base) 分子量: 4329.84(free base)
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4,4'-偶氮双(4-氰基戊醇)CAS号: 4693-47-4分子式: C12H20N4O2 分子量: 252.31IUPAC Name: 2-[(2-cyano-5-hydroxypentan-2-yl)diazenyl]-5-hydroxy-2-methylpentanenitrileSMILES: CC(CCCO)(C#N)N=NC(C)(CCCO)C#NInChIKey: IWTIJBANDVIHPX-UHFFFAOYSA-NInChI: 1S/C12H20N4O2/c1-11(9-13,5-3-7-17)15-16-12(2,10-14)6-4-8-18/h17-18H,3-8H2,1-2H3
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2-氨基-4-溴噻唑CAS号: 502145-18-8分子式: C3H3BrN2S 分子量: 179.04IUPAC Name: 4-bromo-1,3-thiazol-2-amineSMILES: C1=C(N=C(S1)N)BrInChIKey: QJPQUNWGOHADOB-UHFFFAOYSA-NInChI: 1S/C3H3BrN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
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2-氨基-3,5-二溴苄醇CAS号: 50739-76-9分子式: C7H7Br2NO 分子量: 280.94IUPAC Name: (2-amino-3,5-dibromophenyl)methanolSMILES: C1=C(C=C(C(=C1CO)N)Br)BrInChIKey: GHUMSGGCKVMYGH-UHFFFAOYSA-NInChI: 1S/C7H7Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3,10H2
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十二双酸铵CAS号: 59864-79-8分子式: C12H28N2O4 分子量: 264.36IUPAC Name: azane;dodecanedioic acidSMILES: C(CCCCCC(=O)O)CCCCC(=O)O.NInChIKey: AGVBUFRTWKTYON-UHFFFAOYSA-NInChI: 1S/C12H22O4.H3N/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;/h1-10H2,(H,13,14)(H,15,16);1H3
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3,5-二羟基苯胺盐酸盐CAS号: 6318-56-5分子式: C6H8ClNO2 分子量: 161.59IUPAC Name: 5-aminobenzene-1,3-diol;hydrochlorideSMILES: C1=C(C=C(C=C1O)O)N.ClInChIKey: VNZZCDQPCQIUGG-UHFFFAOYSA-NInChI: 1S/C6H7NO2.ClH/c7-4-1-5(8)3-6(9)2-4;/h1-3,8-9H,7H2;1H
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5-(乙酰基氨基)-2-氯苯甲酸CAS号: 719282-11-8分子式: C9H8ClNO3 分子量: 213.62IUPAC Name: 5-acetamido-2-chlorobenzoic acidSMILES: CC(=O)NC1=CC(=C(C=C1)Cl)C(=O)OInChIKey: AMOFQIUOTAJRKS-UHFFFAOYSA-NInChI: 1S/C9H8ClNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
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4-[2-(4-氨基苯基)-1, 2-二苯基乙烯基]苯胺CAS号: 99094-20-9分子式: C26H22N2 分子量: 362.47IUPAC Name: 4-[2-(4-aminophenyl)-1,2-diphenylethenyl]anilineSMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)NInChIKey: FZIHVNZJLMYTFH-UHFFFAOYSA-NInChI: 1S/C26H22N2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18H,27-28H2
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酸性紫3CAS号: 1681-60-3分子式: C16H11N3Na2O8S2 分子量: 483.38IUPAC Name: disodium;3-[(4-aminophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonateSMILES: C1=CC(=CC=C1N)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+]InChIKey: BBWPEJUNPNPWJI-UHFFFAOYSA-LInChI: 1S/C16H13N3O8S2.2Na/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
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6-氨基-22'-联吡啶CAS号: 178039-84-4分子式: C10H9N3 分子量: 171.2IUPAC Name: 6-pyridin-2-ylpyridin-2-amineSMILES: C1=CC=NC(=C1)C2=NC(=CC=C2)NInChIKey: FXVYZSKRRVSINZ-UHFFFAOYSA-NInChI: 1S/C10H9N3/c11-10-6-3-5-9(13-10)8-4-1-2-7-12-8/h1-7H,(H2,11,13)
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5-氨基-2-(2,6-二氧代哌啶-3-基)异二氢吲哚-1,3-二酮CAS号: 191732-76-0分子式: C13H11N3O4 分子量: 273.25IUPAC Name: 5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NInChIKey: IICWMVJMJVXCLY-UHFFFAOYSA-NInChI: 1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)
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