小分子和化合物库
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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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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AmpalexCAS号 : 154235-83-3 Compound CID : 148184分子式: C14H15N3O 分子量: 241.29IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-NInChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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CX 546CAS号 : 215923-54-9(DMSO) Compound CID : 2890分子式: C14H17NO3 分子量: 247.29IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3InChIKey: LJUNPHMOGNFFOS-UHFFFAOYSA-NInChI: InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
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