小分子和化合物库
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GYKI 53655盐酸盐CAS号: 143692-48-2分子式: C19H20N4O3.HCl 分子量: 388.85IUPAC Name: 5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide;hydrochlorideSMILES: CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3.ClInChIKey: ASLCSBBDVWPSQT-UHFFFAOYSA-NInChI: 1S/C19H20N4O3.ClH/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12;/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24);1H
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N-(4-羧基-3-羟苯基)马来酰亚胺CAS号: 19232-43-0分子式: C11H7NO5 分子量: 233.18IUPAC Name: 4-(2,5-dioxopyrrol-1-yl)-2-hydroxybenzoic acidSMILES: C1=CC(=C(C=C1N2C(=O)C=CC2=O)O)C(=O)OInChIKey: SMSVFCGGVBWUJL-UHFFFAOYSA-NInChI: 1S/C11H7NO5/c13-8-5-6(1-2-7(8)11(16)17)12-9(14)3-4-10(12)15/h1-5,13H,(H,16,17)
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MIRA-1,无毒且p53诱导剂CAS号: 72835-26-8分子式: C8H9NO4 分子量: 183.16IUPAC Name: (2,5-dioxopyrrol-1-yl)methyl propanoateSMILES: CCC(=O)OCN1C(=O)C=CC1=OInChIKey: YXEWPGYLMHXLPS-UHFFFAOYSA-NInChI: 1S/C8H9NO4/c1-2-8(12)13-5-9-6(10)3-4-7(9)11/h3-4H,2,5H2,1H3
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JNJ 10191584 马来酸盐CAS号: 869497-75-6 Compound CID : 11718163分子式: C13H15ClN4O.C4H4O4 分子量: 394.81IUPAC Name: (Z)-but-2-enedioic acid;(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanoneSMILES: CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl.C(=CC(=O)O)C(=O)OInChIKey: KOTJFAYEELTYCZ-BTJKTKAUSA-NInChI: 1S/C13H15ClN4O.C4H4O4/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12;5-3(6)1-2-4(7)8/h2-3,8H,4-7H2,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
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TC-2403草酸盐CAS号: 252870-46-5 Compound CID : 9834107分子式: C10H14N2.C2H2O4 分子量: 252.27IUPAC Name: (E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amineSMILES: CC(CC=CC1=CN=CC=C1)NCInChIKey: IEVJOUFGBRDCNE-YVGDHZEHSA-NInChI: 1S/C11H16N2/c1-10(12-2)5-3-6-11-7-4-8-13-9-11/h3-4,6-10,12H,5H2,1-2H3/b6-3+/t10-/m0/s1
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吲哚-3-丙酸钾盐(IPA-K)分子式: C11H10KNO2
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萘莫胺CAS号: 342795-11-3分子式: C10H3ClF3NO4 分子量: 293.58IUPAC Name: 3-chloro-6-nitro-2-(trifluoromethyl)chromen-4-oneSMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)C(F)(F)F)ClInChIKey: DYEGRZKBJMKSKD-UHFFFAOYSA-NInChI: 1S/C10H3ClF3NO4/c11-7-8(16)5-3-4(15(17)18)1-2-6(5)19-9(7)10(12,13)14/h1-3H
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对硝基-环吡菲他林-αCAS号: 60477-38-5分子式: C15H13N3O2S 分子量: 299.35IUPAC Name: 2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazoleSMILES: C1CCC2=C(C1)N3C=C(N=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]InChIKey: XMFNSEDROOHGBY-UHFFFAOYSA-NInChI: 1S/C15H13N3O2S/c19-18(20)11-7-5-10(6-8-11)12-9-17-13-3-1-2-4-14(13)21-15(17)16-12/h5-9H,1-4H2
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