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Apremilast (CC-10004)CAS号 : 608141-41-9(DMSO)分子式: C22H24N2O7S 分子量: 460.5SMILES: CCOC1=C(OC)C=CC(=C1)C(C[S](C)(=O)=O)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(C)=O
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PrucaloprideCAS号 : 179474-81-8(DMSO)分子式: C18H26ClN3O3 分子量: 367.87SMILES: COCCCN1CCC(CC1)NC(=O)C2=CC(=C(N)C3=C2OCC3)Cl
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咯利普兰CAS号 : 61413-54-5(DMSO)分子式: C16H21NO3 分子量: 275.34SMILES: COC1=C(OC2CCCC2)C=C(C=C1)C3CNC(=O)C3
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罗氟司特CAS号 : 162401-32-3(DMSO)分子式: C17H14Cl2F2N2O3 分子量: 403.21SMILES: FC(F)OC1=CC=C(C=C1OCC2CC2)C(=O)NC3=C(Cl)C=NC=C3Cl
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AN-2728CAS号 : 906673-24-3分子式: C14H10BNO3 分子量: 251.05IUPAC Name: 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrileSMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)OInChIKey: USZAGAREISWJDP-UHFFFAOYSA-NInChI: InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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CP-671305CAS号 : 445295-04-5分子式: C23H19FN2O7 分子量: 454.4IUPAC Name: (2R)-2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]propanoic acidSMILES: CC(C(=O)O)OC1=CC(=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC4=C(C=C3)OCO4)FInChIKey: CNIGFESSDPOCKS-CYBMUJFWSA-NInChI: InChI=1S/C23H19FN2O7/c1-13(23(28)29)32-15-5-4-14(18(24)9-15)11-26-21(27)17-3-2-8-25-22(17)33-16-6-7-19-20(10-16)31-12-30-19/h2-10,13H,11-12H2,1H3,(H,26,27)(H,28,29)/t13-/m1/s1
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异丁司特CAS号 : 50847-11-5分子式: C14H18N2O 分子量: 230.31IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-oneSMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)CInChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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甲氧氯普胺CAS号 : 364-62-5分子式: C14H22ClN3O2 分子量: 299.8IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamideSMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)ClInChIKey: TTWJBBZEZQICBI-UHFFFAOYSA-NInChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
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PF-04995274CAS号 : 1331782-27-4 Compound CID : 53354764分子式: C23H32N2O6 分子量: 432.51IUPAC Name: 4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-olSMILES: C1CN(CCC1COC2=NOC3=C2C(=CC=C3)OC4CCOC4)CC5(CCOCC5)OInChIKey: WLLOFQROROXOMO-GOSISDBHSA-NInChI: InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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VilazodoneCAS号 : 163521-12-8 Compound CID : 6918314分子式: C26H27N5O2 分子量: 441.52IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamideSMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)NInChIKey: SGEGOXDYSFKCPT-UHFFFAOYSA-NInChI: InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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RO 20-1724CAS号 : 29925-17-5 Compound CID : 5087分子式: C15H22N2O3 分子量: 278.35IUPAC Name: 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-oneSMILES: CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OCInChIKey: PDMUULPVBYQBBK-UHFFFAOYSA-NInChI: InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
