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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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JTT 551CAS号: 776309-04-7 Compound CID : 23080446分子式: C34H43N3O3S2 分子量: 605.85IUPAC Name: 2-[(5-tert-butyl-1,3-thiazol-2-yl)methyl-[[4-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acidSMILES: CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CSC(=N3)CN(CC4=NC=C(S4)C(C)(C)C)CC(=O)OInChIKey: FKGBFRNVTCFMGU-UHFFFAOYSA-NInChI: 1S/C34H43N3O3S2/c1-6-8-25(9-7-2)26-14-16-28(17-15-26)40-22-24-10-12-27(13-11-24)29-23-41-32(36-29)20-37(21-33(38)39)19-31-35-18-30(42-31)34(3,4)5/h10-18,23,25H,6-9,19-22H2,1-5H3,(H,38,39)
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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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PTP1B-IN-3CAS号: 809272-64-8 Compound CID : 24857885分子式: C12H7BrF2NO3P 分子量: 396.12IUPAC Name: [(3-bromo-7-cyanonaphthalen-2-yl)-difluoromethyl]phosphonic acidSMILES: C1=CC2=CC(=C(C=C2C=C1C#N)C(F)(F)P(=O)(O)O)BrInChIKey: BWJOQFMMTKEZGA-UHFFFAOYSA-NInChI: 1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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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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ErtiprotafibCAS号: 251303-04-5 Compound CID : 157049分子式: C31H27BrO3S 分子量: 559.51IUPAC Name: (2R)-2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenoxy]-3-phenylpropanoic acidSMILES: CC1=CC(=CC(=C1OC(CC2=CC=CC=C2)C(=O)O)C)C3=C4C(=C(SC4=C(C5=CC=CC=C53)Br)C)CInChIKey: FONCZICQWCUXEB-RUZDIDTESA-NInChI: 1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1
