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呋喃妥因分子式: C8H6N4O5 分子量: 238.16IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dioneSMILES: C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]InChIKey: NXFQHRVNIOXGAQ-YCRREMRBSA-NInChI: 1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
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呋喃妥因分子式: C8H6N4O5 分子量: 238.16IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dioneSMILES: C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]InChIKey: NXFQHRVNIOXGAQ-YCRREMRBSA-NInChI: 1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
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尼氟酸CAS号: 4394-00-7分子式: C13H9F3N2O2 分子量: 282.22IUPAC Name: 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acidSMILES: C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)FInChIKey: JZFPYUNJRRFVQU-UHFFFAOYSA-NInChI: 1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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匹格列酮CAS号: 111025-46-8分子式: C19H20N2O3S 分子量: 356.44IUPAC Name: 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneSMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-NInChI: 1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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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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托卡朋CAS号: 134308-13-7 Compound CID : 4659569分子式: C14H11NO5 分子量: 273.24IUPAC Name: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanoneSMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-NInChI: 1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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SMI-4a,ATP竞争性Pim激酶抑制剂CAS号: 438190-29-5 Compound CID : 1361334分子式: C11H6F3NO2S 分子量: 273.23IUPAC Name: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dioneSMILES: C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)S2InChIKey: NGJLOFCOEOHFKQ-YVMONPNESA-NInChI: 1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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托灭酸分子式: C14H12ClNO2 分子量: 261.7IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acidSMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)OInChIKey: YEZNLOUZAIOMLT-UHFFFAOYSA-NInChI: 1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
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