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盐酸头孢甲肟CAS号: 75738-58-8 Compound CID : 11954009分子式: C32H34N18O10S6·HCl 分子量: 1059.58IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochlorideSMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.ClInChIKey: MPTNDTIREFCQLK-UNVJPQNDSA-NInChI: See more
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39 22-二氟-2-（2-（三氟甲基）苯基）乙酸CAS号: 1343107-31-2分子式: C9H5F5O2 分子量: 240.13IUPAC Name: 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acidSMILES: C1=CC=C(C(=C1)C(C(=O)O)(F)F)C(F)(F)FInChIKey: XXGYJZCVWVRSGB-UHFFFAOYSA-NInChI: 1S/C9H5F5O2/c10-8(11,7(15)16)5-3-1-2-4-6(5)9(12,13)14/h1-4H,(H,15,16)
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71 22-二氟-2-（4-甲基吡啶-2-基）乙酸CAS号: 1781036-04-1分子式: C8H7F2NO2 分子量: 187.15IUPAC Name: 2,2-difluoro-2-(4-methylpyridin-2-yl)acetic acidSMILES: CC1=CC(=NC=C1)C(C(=O)O)(F)FInChIKey: LCGRGGRRGPLBPI-UHFFFAOYSA-NInChI: 1S/C8H7F2NO2/c1-5-2-3-11-6(4-5)8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
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3-(三烯丙基硅烷基)甲基丙烯酸丙酯CAS号: 1990509-31-3 Compound CID : 125401955分子式: C16H26O2Si 分子量: 278.47IUPAC Name: 3-tris(prop-2-enyl)silylpropyl 2-methylprop-2-enoateSMILES: CC(=C)C(=O)OCCC[Si](CC=C)(CC=C)CC=CInChIKey: DZQKPAZSDBDDET-UHFFFAOYSA-NInChI: 1S/C16H26O2Si/c1-6-11-19(12-7-2,13-8-3)14-9-10-18-16(17)15(4)5/h6-8H,1-4,9-14H2,5H3
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48 反式-2-（2-氟-5-硝基苯基）环丙烷-1-羧酸CAS号: 2227755-27-1 Compound CID : 155905960分子式: C10H8FNO4 分子量: 225.18IUPAC Name: (1R,2R)-2-(2-fluoro-5-nitrophenyl)cyclopropane-1-carboxylic acidSMILES: C1C(C1C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])FInChIKey: FSRBAVSPEDPDMK-POYBYMJQSA-NInChI: 1S/C10H8FNO4/c11-9-2-1-5(12(15)16)3-7(9)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8+/m0/s1
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01 反式-2-（24-二甲基苯基）环丙烷-1-羧酸CAS号: 2227783-40-4 Compound CID : 93299337分子式: C12H14O2 分子量: 190.24IUPAC Name: (1R,2R)-2-(2,4-dimethylphenyl)cyclopropane-1-carboxylic acidSMILES: CC1=CC(=C(C=C1)C2CC2C(=O)O)CInChIKey: BDCAWIWSTIEPCK-WDEREUQCSA-NInChI: 1S/C12H14O2/c1-7-3-4-9(8(2)5-7)10-6-11(10)12(13)14/h3-5,10-11H,6H2,1-2H3,(H,13,14)/t10-,11+/m0/s1
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Bisindolylmaleimide VIII acetateCAS号: 138516-31-1分子式: C24H22N4O2.CH3CO2H 分子量: 458.51IUPAC Name: acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dioneSMILES: CC(=O)O.CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNInChIKey: VEOXVBTXROWDAH-UHFFFAOYSA-NInChI: 1S/C24H22N4O2.C2H4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20;1-2(3)4/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30);1H3,(H,3,4)
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普伐他汀内酯CAS号: 85956-22-5 Compound CID : 9931182分子式: C23H34O6 分子量: 406.51IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)OInChIKey: OQARDMYXSOFTLN-PZAWKZKUSA-NInChI: 1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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红海海绵素A（LAT-A）CAS号: 76343-93-6分子式: C22H31NO5S 分子量: 421.55IUPAC Name: (4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-oneSMILES: CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=CC=C1)CInChIKey: DDVBPZROPPMBLW-IZGXTMSKSA-NInChI: 1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
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PGP 4008,P糖蛋白抑制剂CAS号: 365565-02-2 Compound CID : 9821937分子式: C26H23N3O 分子量: 393.49IUPAC Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-phenylacetamideSMILES: C1CN(C2=NC3=CC=CC=C3C(=C21)NC(=O)CC4=CC=CC=C4)CC5=CC=CC=C5InChIKey: HVIAKQBMYMKWII-UHFFFAOYSA-NInChI: 1S/C26H23N3O/c30-24(17-19-9-3-1-4-10-19)28-25-21-13-7-8-14-23(21)27-26-22(25)15-16-29(26)18-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,28,30)
