小分子和化合物库
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利鲁唑(PK 26124)CAS号: 850608-87-6 Compound CID : 6419992分子式: C8H5F3N2OS.HCl 分子量: 270.66IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochlorideSMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N.ClInChIKey: QEAOELIJQRYJJS-UHFFFAOYSA-NInChI: 1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H
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喹诺酮1hCAS号: 840474-95-5 Compound CID : 9929913分子式: C20H14FNO4S 分子量: 383.4IUPAC Name: 4-[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-oneSMILES: C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)F)C4(C=CC(=O)C=C4)OInChIKey: NUKLBNRXGJLHIA-UHFFFAOYSA-NInChI: 1S/C20H14FNO4S/c21-15-7-6-14-12-19(20(24)10-8-16(23)9-11-20)22(18(14)13-15)27(25,26)17-4-2-1-3-5-17/h1-13,24H
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Pitstop®1-25,新型网格蛋白抑制剂CAS号: 1419321-16-6 Compound CID : 75593424分子式: C19H12KNO5S 分子量: 405.47IUPAC Name: potassium;2-benzyl-1,3-dioxobenzo[de]isoquinoline-5-sulfonateSMILES: C1=CC=C(C=C1)CN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)S(=O)(=O)[O-].[K+]InChIKey: XOIYIOVSMFKQQC-UHFFFAOYSA-MInChI: 1S/C19H13NO5S.K/c21-18-15-8-4-7-13-9-14(26(23,24)25)10-16(17(13)15)19(22)20(18)11-12-5-2-1-3-6-12;/h1-10H,11H2,(H,23,24,25);/q;+1/p-1
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SB 271046盐酸盐CAS号: 209481-24-3分子式: C20H22CIN3O3S2.HCl 分子量: 488.45IUPAC Name: 5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide;hydrochlorideSMILES: CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4.ClInChIKey: RMXZRJYGJMSDQK-UHFFFAOYSA-NInChI: 1S/C20H22ClN3O3S2.ClH/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24;/h3-6,11-12,22-23H,7-10H2,1-2H3;1H
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盐酸罗匹尼罗CAS号: 91374-20-8 Compound CID : 68727分子式: C16H24N2O.HCl 分子量: 296.84IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;hydrochlorideSMILES: CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1.ClInChIKey: XDXHAEQXIBQUEZ-UHFFFAOYSA-NInChI: 1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
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盐酸洛卡尼特CAS号: 58934-46-6分子式: C22H27ClN2O.HCl 分子量: 407.4IUPAC Name: N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochlorideSMILES: CC(C)N1CCC(CC1)N(C2=CC=C(C=C2)Cl)C(=O)CC3=CC=CC=C3.ClInChIKey: FSFSWNBDCJVFGI-UHFFFAOYSA-NInChI: 1S/C22H27ClN2O.ClH/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18;/h3-11,17,21H,12-16H2,1-2H3;1H
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S14161,细胞周期蛋白D 1 -D 3抑制剂CAS号: 883046-50-2 Compound CID : 2732983分子式: C17H14FNO4 分子量: 315.3IUPAC Name: 8-ethoxy-2-(4-fluorophenyl)-3-nitro-2H-chromeneSMILES: CCOC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)FInChIKey: BFZXDHIUPNWOMT-UHFFFAOYSA-NInChI: 1S/C17H14FNO4/c1-2-22-15-5-3-4-12-10-14(19(20)21)16(23-17(12)15)11-6-8-13(18)9-7-11/h3-10,16H,2H2,1H3
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YM-08,血脑屏障通透性Hsp70抑制剂CAS号: 812647-88-4分子式: C19H17N3OS2 分子量: 367.49SMILES: O=C4N(CC)C(=C\c1ccccn1)\S/C4=C3/Sc2ccccc2N3C
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马来酸酯SM21CAS号: 155059-42-0分子式: C18H24ClNO3.C4H4O4 分子量: 453.92IUPAC Name: (Z)-but-2-enedioic acid;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)butanoateSMILES: CCC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)OInChIKey: BHXGTFUQDGMXHA-BTJKTKAUSA-NInChI: 1S/C18H24ClNO3.C4H4O4/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2;5-3(6)1-2-4(7)8/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
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脱甲基YM298198盐酸盐CAS号: 299901-57-8分子式: C17H20N4OS.HCl 分子量: 364.89IUPAC Name: 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamideSMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)NC4CCCCC4InChIKey: VWOMTTIMBHBPBI-UHFFFAOYSA-NInChI: 1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)
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