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吗氯贝胺CAS号: 71320-77-9 EC号: MFCD00865388分子式: C13H17ClN2O2 分子量: 268.74IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamideSMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)ClInChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-NInChI: 1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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罗格列酮CAS号: 122320-73-4 Compound CID : 77999分子式: C18H19N3O3S 分子量: 357.43IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneSMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-NInChI: 1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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甲磺酸雷沙吉兰CAS号: 161735-79-1 Compound CID : 3052775分子式: C12H13N·CH4O3S 分子量: 267.34IUPAC Name: methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amineSMILES: CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12InChIKey: JDBJJCWRXSVHOQ-UTONKHPSSA-NInChI: 1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1
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(R)-(-)-丙炔苯丙胺 盐酸盐CAS号: 14611-52-0分子式: C13H17N · HCl 分子量: 223.74IUPAC Name: (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochlorideSMILES: CC(CC1=CC=CC=C1)N(C)CC#C.ClInChIKey: IYETZZCWLLUHIJ-UTONKHPSSA-NInChI: 1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1
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伐诺司林二盐酸盐CAS号: 67469-78-7 Compound CID : 104920分子式: C28H32F2N2O.2HCl 分子量: 523.49IUPAC Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochlorideSMILES: C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.ClInChIKey: MIBSKSYCRFWIRU-UHFFFAOYSA-NInChI: 1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H
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依巴斯汀CAS号: 90729-43-4分子式: C32H39NO2 分子量: 469.66IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-oneSMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: MJJALKDDGIKVBE-UHFFFAOYSA-NInChI: 1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
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o-去甲文拉法辛CAS号: 93413-62-8分子式: C16H25NO2 分子量: 263.375IUPAC Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenolSMILES: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)OInChIKey: KYYIDSXMWOZKMP-UHFFFAOYSA-NInChI: 1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
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SutezolidCAS号: 168828-58-8 Compound CID : 465951分子式: C16H20FN3O3S 分子量: 353.41IUPAC Name: N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideSMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCSCC3)FInChIKey: FNDDDNOJWPQCBZ-ZDUSSCGKSA-NInChI: 1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
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Raxatrigine hydrochlorideCAS号: 934240-31-0 Compound CID : 16046067分子式: C18H20ClFN2O2 分子量: 350.8IUPAC Name: (2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide;hydrochlorideSMILES: C1CC(NC1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N.ClInChIKey: HEPUBAGOKRIZEO-PPPUBMIESA-NInChI: 1S/C18H19FN2O2.ClH/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22;/h1-8,16-17,21H,9-11H2,(H2,20,22);1H/t16-,17+;/m1./s1
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GDC-0927CAS号: 1642297-01-5 Compound CID : 87055263分子式: C28H28FNO4 分子量: 461.5IUPAC Name: (2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-olSMILES: CC1=C(C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)OInChIKey: KJAAPZIFCQQQKX-NDEPHWFRSA-NInChI: 1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1
