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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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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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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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AmpalexCAS号 : 154235-83-3 Compound CID : 148184分子式: C14H15N3O 分子量: 241.29IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-NInChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
