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吡咯喹啉醌 (PQQ)CAS号 : 72909-34-3 Compound CID : 1024分子式: C14H6N2O8 分子量: 330.21IUPAC Name: 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acidSMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)OInChIKey: MMXZSJMASHPLLR-UHFFFAOYSA-NInChI: InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
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CID 2745687,孤儿受体GPR35抑制剂CAS号 : 264233-05-8 Compound CID : 9581011分子式: C17H19F2N5O2S 分子量: 395.43IUPAC Name: methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylateSMILES: CC(C)(C)NC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OCInChIKey: CYNLZIBKERMMOA-AWQFTUOYSA-NInChI: InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+
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YE 120,GPR35激动剂CAS号 : 383124-82-1 Compound CID : 12138435分子式: C16H9Cl2N3O 分子量: 330.17IUPAC Name: 2-[3-cyano-5-(3,4-dichlorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrileSMILES: CC1=C(C(=C(C#N)C#N)OC1(C)C2=CC(=C(C=C2)Cl)Cl)C#NInChIKey: RSWZFAPYKOARNG-UHFFFAOYSA-NInChI: InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
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TCS 3035,GPR35激动剂CAS号 : 871085-49-3 Compound CID : 2295463分子式: C12H9NO5S 分子量: 279.27IUPAC Name: 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acidSMILES: C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)OCC(=O)OInChIKey: WXMCOLGPDOYHNK-UITAMQMPSA-NInChI: InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
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TC-G 1001,GPR35激动剂CAS号 : 494191-73-0 Compound CID : 135468531分子式: C17H11FN2O3S 分子量: 342.34IUPAC Name: 4-[(Z)-[2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acidSMILES: C1=CC=C(C(=C1)N=C2NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)S2)FInChIKey: SYCKPHBALHXMIR-ZROIWOOFSA-NInChI: InChI=1S/C17H11FN2O3S/c18-12-3-1-2-4-13(12)19-17-20-15(21)14(24-17)9-10-5-7-11(8-6-10)16(22)23/h1-9H,(H,22,23)(H,19,20,21)/b14-9-
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ML 145,GPR35拮抗剂CAS号 : 1164500-72-4 Compound CID : 2286812分子式: C24H22N2O5S2 分子量: 482.57IUPAC Name: 2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acidSMILES: CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)C(=O)O)OInChIKey: COFMYJWNXSFLKQ-QIROLCGISA-NInChI: InChI=1S/C24H22N2O5S2/c1-15(12-16-6-3-2-4-7-16)13-20-22(29)26(24(32)33-20)11-5-8-21(28)25-17-9-10-18(23(30)31)19(27)14-17/h2-4,6-7,9-10,12-14,27H,5,8,11H2,1H3,(H,25,28)(H,30,31)/b15-12+,20-13-
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Compound 10CAS号 : 123021-85-2 Compound CID : 2295463分子式: C12H9NO5S 分子量: 279.27IUPAC Name: 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acidSMILES: C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)OCC(=O)OInChIKey: WXMCOLGPDOYHNK-UITAMQMPSA-NInChI: InChI=1S/C12H9NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-5H,6H2,(H,14,15)(H,13,16,17)/b9-5-
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BufrolinCAS号 : 54867-56-0 Compound CID : 72103分子式: C18H16N2O6 分子量: 356.33IUPAC Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acidSMILES: CCCCC1=CC2=C(C3=C1NC(=CC3=O)C(=O)O)NC(=CC2=O)C(=O)OInChIKey: BQVIONBNDNFCCP-UHFFFAOYSA-NInChI: InChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
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硝苯地平CAS号 : 21829-25-4(DMSO)分子式: C17H18N2O6 分子量: 346.33SMILES: COC(=O)C1=C(C)NC(=C(C1C2=C(C=CC=C2)[N+]([O-])=O)C(=O)OC)C
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双香豆素分子式: C19H12O6 分子量: 336.3IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-oneSMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)OInChIKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-NInChI: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
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6-Bromo-3-methylthieno[3,2-b]thiophene-2-carboxylic acidCAS号 : 926011-53-2 Compound CID : 16103462分子式: C8H5BrO2S2 分子量: 277.2IUPAC Name: 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylic acidSMILES: CC1=C(SC2=C1SC=C2Br)C(=O)OInChIKey: QQAXFGQFKBDJMX-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrO2S2/c1-3-5-7(4(9)2-12-5)13-6(3)8(10)11/h2H,1H3,(H,10,11)
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硝苯地平CAS号 : 21829-25-4 Compound CID : 4485分子式: C17H18N2O6 分子量: 346.33IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCInChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-NInChI: InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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