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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Autophinib,VPS34抑制剂CAS号 : 1644443-47-9 Compound CID : 129626605分子式: C14H11ClN6O3 分子量: 346.73IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amineSMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])ClInChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-NInChI: InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
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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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KU 60019CAS号 : 925701-46-8 Compound CID : 15953870分子式: C30H33N3O5S 分子量: 547.67IUPAC Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamideSMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-NInChI: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
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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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