小分子和化合物库
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TC-G 1005,GPBA受体(TGR5)激动剂CAS号: 1415407-60-1 Compound CID : 71450251分子式: C25H25N3O2 分子量: 399.48IUPAC Name: (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dimethylphenoxy)pyridin-3-yl]methanoneSMILES: CC1=CC(=C(C=C1)C)OC2=C(C=NC=C2)C(=O)N3CCN(C4=CC=CC=C43)C5CC5InChIKey: JQULIQJSYPZQMA-UHFFFAOYSA-NInChI: 1S/C25H25N3O2/c1-17-7-8-18(2)24(15-17)30-23-11-12-26-16-20(23)25(29)28-14-13-27(19-9-10-19)21-5-3-4-6-22(21)28/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3
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TC-G 1004CAS号: 1061747-72-5 Compound CID : 25074316分子式: C22H27N7O2 分子量: 421.5IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamideSMILES: CC1=CC(=NN1C2=NC(=CC(=N2)NC(=O)C)C3=NC(=CC=C3)N4CCC(CC4)OC)CInChIKey: JENSDTKXNVHSSN-UHFFFAOYSA-NInChI: 1S/C22H27N7O2/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30)
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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: 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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Thalidomide-O-COOHCAS号: 1061605-21-7 Compound CID : 25015436分子式: C15H12N2O7 分子量: 332.26IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetic acidSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)OInChIKey: ZVWIXIGBWIEDFO-UHFFFAOYSA-NInChI: 1S/C15H12N2O7/c18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h1-3,8H,4-6H2,(H,19,20)(H,16,18,21)
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TC-C 14G,和CB1反向激动剂CAS号: 656804-72-7 Compound CID : 22475020分子式: C24H17Cl2F2NO4 分子量: 492.3IUPAC Name: [2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanoneSMILES: C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)F)C5=C(C=C(C=C5)Cl)ClInChIKey: VUCKSZWMRCSPME-UHFFFAOYSA-NInChI: 1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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TC AQP1 1,水通道蛋白 1(AQP1)通道阻滞剂CAS号: 37710-81-9 Compound CID : 794091分子式: C12H10O4 分子量: 218.211IUPAC Name: (E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acidSMILES: C1=CC(=CC(=C1)C=CC(=O)O)C=CC(=O)OInChIKey: KRXUBZPHAPGHPE-YDFGWWAZSA-NInChI: 1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+
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TC AC 28,BET溴结构域配体CAS号: 1809296-92-1 Compound CID : 118121364分子式: C23H21N5O3 分子量: 415.44IUPAC Name: methyl 2-[6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetateSMILES: CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=NC2CC(=O)OC)C4=C5C=CNC5=CC=C4InChIKey: RARZHTSXOQRRPR-UHFFFAOYSA-NInChI: 1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
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Targapremir 210,抑制miR-210的形成CAS号: 1049722-30-6 Compound CID : 44221088分子式: C32H36N10O2 分子量: 592.71IUPAC Name: N-(3-azidopropyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamideSMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC(=CC=C6)OCCCC(=O)NCCCN=[N+]=[N-]InChIKey: PAYVJEWMAWLKAP-UHFFFAOYSA-NInChI: See more
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Talsupram Hydrochloride,去甲肾上腺素转运蛋白抑制剂CAS号: 25487-28-9 Compound CID : 69889594分子式: C20H25NS.HCl 分子量: 347.95IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N-methylpropan-1-amine;hydrochlorideSMILES: CC1(C2=CC=CC=C2C(S1)(CCCNC)C3=CC=CC=C3)C.ClInChIKey: YMZCMCDSCRSIBS-UHFFFAOYSA-NInChI: 1S/C20H25NS.ClH/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16;/h4-8,10-13,21H,9,14-15H2,1-3H3;1H
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Talabostat甲磺酸盐CAS号: 150080-09-4 Compound CID : 11522448分子式: C10H23BN2O6S 分子量: 310.18IUPAC Name: [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid;methanesulfonic acidSMILES: B(C1CCCN1C(=O)C(C(C)C)N)(O)O.CS(=O)(=O)OInChIKey: OXYYOEIGQRXGPI-WSZWBAFRSA-NInChI: 1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1
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Tabimorelin半富马酸盐CAS号: 242143-80-2 Compound CID : 11981159分子式: C₃₂H₄₀N₄O₃.½C₄H₄O₄ 分子量: 586.73IUPAC Name: (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide;(E)-but-2-enedioic acidSMILES: CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC)N.CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC)N.C(=CC(=O)O)C(=O)OInChIKey: YQDJPWXYLLPOPW-LWTUVRFUSA-NInChI: See more
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SZL P1-41,Skp2抑制剂CAS号: 222716-34-9 Compound CID : 1286902分子式: C24H24N2O3S 分子量: 420.52IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-oneSMILES: CCC1=CC2=C(C(=C1O)CN3CCCCC3)OC=C(C2=O)C4=NC5=CC=CC=C5S4InChIKey: JKIXLEKBXHMXTN-UHFFFAOYSA-NInChI: 1S/C24H24N2O3S/c1-2-15-12-16-22(28)18(24-25-19-8-4-5-9-20(19)30-24)14-29-23(16)17(21(15)27)13-26-10-6-3-7-11-26/h4-5,8-9,12,14,27H,2-3,6-7,10-11,13H2,1H3
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