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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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渥曼青霉素CAS号: 19545-26-7 Compound CID : 312145分子式: C23H24O8 分子量: 428.43IUPAC Name: [(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetateSMILES: CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C5=COC(=C54)C3=O)COC)C)CInChIKey: QDLHCMPXEPAAMD-QAIWCSMKSA-NInChI: 1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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苯扎贝特CAS号: 41859-67-0 EC号: 255-567-9分子式: C19H20ClNO4 分子量: 361.82IUPAC Name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acidSMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)ClInChIKey: IIBYAHWJQTYFKB-UHFFFAOYSA-NInChI: 1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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环丙贝特CAS号: 52214-84-3 EC号: 257-744-6分子式: C13H14Cl2O3 分子量: 289.15IUPAC Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acidSMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)ClInChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-NInChI: 1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
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吉非罗齐CAS号: 25812-30-0 EC号: 247-280-2分子式: C15H22O3 分子量: 250.33IUPAC Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acidSMILES: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OInChIKey: HEMJJKBWTPKOJG-UHFFFAOYSA-NInChI: 1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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替格列扎CAS号: 251565-85-2 Compound CID : 208901分子式: C20H24O7S 分子量: 408.47IUPAC Name: (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acidSMILES: CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)OInChIKey: CXGTZJYQWSUFET-IBGZPJMESA-NInChI: 1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
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T-00127_HEV1CAS号: 900874-91-1 Compound CID : 4904109分子式: C22H29N5O3 分子量: 411.50IUPAC Name: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amineSMILES: CC1=NC2=C(C(=NN2C(=C1)NCCN3CCOCC3)C)C4=CC(=C(C=C4)OC)OCInChIKey: RITGMCAEZVMEQO-UHFFFAOYSA-NInChI: 1S/C22H29N5O3/c1-15-13-20(23-7-8-26-9-11-30-12-10-26)27-22(24-15)21(16(2)25-27)17-5-6-18(28-3)19(14-17)29-4/h5-6,13-14,23H,7-12H2,1-4H3
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