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1-[2-(24-二氯苯基)-2-[(24-二氯苯基)甲氧基]乙基]-1H-咪唑CAS号 : 22916-47-8(DMSO)分子式: C18H14Cl4N2O 分子量: 416.13SMILES: ClC1=CC=C(COC(C[N]2C=CN=C2)C3=C(Cl)C=C(Cl)C=C3)C(=C1)Cl
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Canagliflozin (JNJ 28431754)CAS号 : 842133-18-0(DMSO)分子式: C24H25FO5S 分子量: 444.52SMILES: CC1=C(CC2=CC=C(S2)C3=CC=C(F)C=C3)C=C(C=C1)C4OC(CO)C(O)C(O)C4O
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Empagliflozin (BI 10773)CAS号 : 864070-44-0(DMSO)分子式: C23H27ClO7 分子量: 450.91SMILES: OCC1OC(C(O)C(O)C1O)C2=CC(=C(Cl)C=C2)CC3=CC=C(OC4CCOC4)C=C3
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克霉唑CAS号 : 23593-75-1(DMSO)分子式: C22H17ClN2 分子量: 344.84SMILES: ClC1=C(C=CC=C1)C([N]2C=CN=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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联苯苄唑CAS号 : 60628-96-8(DMSO)分子式: C22H18N2 分子量: 310.39SMILES: C1=CC=C(C=C1)C([N]2C=CN=C2)C3=CC=C(C=C3)C4=CC=CC=C4
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达格列嗪CAS号 : 461432-26-8(DMSO)分子式: C21H25ClO6 分子量: 408.87SMILES: CCOC1=CC=C(CC2=CC(=CC=C2Cl)C3OC(CO)C(O)C(O)C3O)C=C1
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益康唑CAS号 : 27220-47-9分子式: C18H15Cl3N2O 分子量: 381.68IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazoleSMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)ClInChIKey: LEZWWPYKPKIXLL-UHFFFAOYSA-NInChI: InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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IpragliflozinCAS号 : 761423-87-4分子式: C21H21FO5S 分子量: 404.45IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)FInChIKey: AHFWIQIYAXSLBA-RQXATKFSSA-NInChI: InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
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LX-4211CAS号 : 1018899-04-1分子式: C21H25ClO5S 分子量: 424.94IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)ClInChIKey: QKDRXGFQVGOQKS-CRSSMBPESA-NInChI: InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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埃格列净CAS号 : 1210344-57-2分子式: C22H25ClO7 分子量: 436.88IUPAC Name: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triolSMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)ClInChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-NInChI: InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
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