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（-）-多奈哌齐CAS号 : 142057-80-5 Compound CID : 3152分子式: C24H29NO3 分子量: 379.49IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OCInChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-NInChI: InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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LY2811376CAS号 : 1194044-20-6(DMSO)分子式: C15H14F2N4S 分子量: 320.36SMILES: CC1(CCSC(=N1)N)C2=CC(=C(F)C=C2F)C3=CN=CN=C3
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LY2886721CAS号 : 1262036-50-9(DMSO)分子式: C18H16F2N4O2S 分子量: 390.41SMILES: NC1=NC2(COCC2CS1)C3=CC(=CC=C3F)NC(=O)C4=NC=C(F)C=C4
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（-）-表没食子儿茶素没食子酸酯CAS号 : 989-51-5(DMSO)分子式: C22H18O11 分子量: 458.37SMILES: OC1=CC2=C(CC(OC(=O)C3=CC(=C(O)C(=C3)O)O)C(O2)C4=CC(=C(O)C(=C4)O)O)C(=C1)O
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AZD3839CAS号 : 1227163-84-9 Compound CID : 46202416分子式: C24H16F3N5 分子量: 431.4IUPAC Name: (3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amineSMILES: C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5InChIKey: MRXBCEQZNKUUIP-DEOSSOPVSA-NInChI: InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1
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AZD3293 (Lanabecestat)CAS号 : 1383982-64-6分子式: C26H28N4O 分子量: 412.53SMILES: CC#CC1=CC(=CN=C1)C2=CC3=C(CC4(C35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2InChIKey: WKDNQONLGXOZRG-BOPKNSRXSA-NInChI: InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1
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5-((benzo[d]thiazol-2-ylthio)methyl)-1,3,4-oxadiazole-2(3H)-thioneCAS号 : 132274-57-8 Compound CID : 804977分子式: C10H7N3OS3 分子量: 281.4IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3H-1,3,4-oxadiazole-2-thioneSMILES: C1=CC=C2C(=C1)N=C(S2)SCC3=NNC(=S)O3InChIKey: JQUJYSYDBLQZJE-UHFFFAOYSA-NInChI: InChI=1S/C10H7N3OS3/c15-9-13-12-8(14-9)5-16-10-11-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15)
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佛手柑素分子式: C21H22O4 分子量: 338.40IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-oneSMILES: CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)CInChIKey: DBMJZOMNXBSRED-OQLLNIDSSA-NInChI: InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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多萘哌齐碱CAS号 : 120014-06-4 Compound CID : 3152分子式: C24H29NO3 · HCl · H2O 分子量: 433.97IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OCInChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-NInChI: InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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(-)-表没食子儿茶素没食子酸酯CAS号 : 989-51-5分子式: C22H18O11 分子量: 458.37IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoateSMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)OInChIKey: WMBWREPUVVBILR-WIYYLYMNSA-NInChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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