小分子和化合物库
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5-氟-1,3-二氢-1-羟基-2,1-苯并氧杂硼戊环CAS号 : 174671-46-6 Compound CID : 11499245分子式: C7H6BFO2 分子量: 151.93IUPAC Name: 5-fluoro-1-hydroxy-3H-2,1-benzoxaboroleSMILES: B1(C2=C(CO1)C=C(C=C2)F)OInChIKey: LFQDNHWZDQTITF-UHFFFAOYSA-NInChI: InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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槲皮素 3-β-D-葡萄糖甙分子式: C21H20O12 分子量: 464.38IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OInChIKey: OVSQVDMCBVZWGM-QSOFNFLRSA-NInChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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O-三环[5.2.1.0 2,6 ] 癸基-9-二硫代碳酸酯 钾盐CAS号 : 83373-60-8 Compound CID : 4234241分子式: C11H15KOS2 分子量: 266.46IUPAC Name: potassium;8-tricyclo[5.2.1.02,6]decanyloxymethanedithioateSMILES: C1CC2C(C1)C3CC2CC3OC(=S)[S-].[K+]InChIKey: IGULCCCBGBDZKQ-UHFFFAOYSA-MInChI: InChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1
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BAY 57-1293CAS号 : 348086-71-5 Compound CID : 491941分子式: C18H18N4O3S2 分子量: 402.49IUPAC Name: N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamideSMILES: CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)NInChIKey: IVZKZONQVYTCKC-UHFFFAOYSA-NInChI: InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
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STX64CAS号 : 288628-05-7 Compound CID : 5287541分子式: C14H15NO5S 分子量: 309.34IUPAC Name: (6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamateSMILES: C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)NInChIKey: DSLPMJSGSBLWRE-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
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舒噻嗪分子式: C10H14N2O4S2 分子量: 290.36IUPAC Name: 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamideSMILES: C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NInChIKey: HMHVCUVYZFYAJI-UHFFFAOYSA-NInChI: InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
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4'-氨基-1,1'-联苯-4-磺酰胺CAS号 : 100142-87-8 Compound CID : 4961927分子式: C12H12N2O2S 分子量: 248.3IUPAC Name: 4-(4-aminophenyl)benzenesulfonamideSMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)N)NInChIKey: OFWFFDCOBHXZME-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
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