RAR/RXR
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蓓萨罗丁中间体4CAS号 : 153559-46-7 Compound CID : 9810431分子式: C23H26O3 分子量: 350.45IUPAC Name: 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acidSMILES: CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)CInChIKey: QADGBOQVBUXZKO-UHFFFAOYSA-NInChI: InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
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阿曲汀CAS号 : 55079-83-9 Compound CID : 5284513分子式: C21H26O3 分子量: 326.43IUPAC Name: (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acidSMILES: CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OCInChIKey: IHUNBGSDBOWDMA-AQFIFDHZSA-NInChI: InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+
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(R)-氟比洛芬CAS号 : 51543-40-9分子式: C15H13FO2 分子量: 244.26IUPAC Name: (2R)-2-(3-fluoro-4-phenylphenyl)propanoic acidSMILES: CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OInChIKey: SYTBZMRGLBWNTM-SNVBAGLBSA-NInChI: InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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AM580,RARα激动剂CAS号 : 102121-60-8分子式: C22H25NO3 分子量: 351.44IUPAC Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)CInChIKey: SZWKGOZKRMMLAJ-UHFFFAOYSA-NInChI: InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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BMS 753CAS号 : 215307-86-1 Compound CID : 9884820分子式: C21H21NO4 分子量: 351.4IUPAC Name: 4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acidSMILES: CC1(C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(C1=O)(C)C)CInChIKey: KFBPBWUZXBYJDG-UHFFFAOYSA-NInChI: InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
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MM 11253,RARγ拮抗剂CAS号 : 345952-44-5 Compound CID : 10389639分子式: C28H30O2S2 分子量: 462.66IUPAC Name: 6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C3(SCCS3)C4=CC5=C(C=C4)C=C(C=C5)C(=O)O)(C)C)CInChIKey: DPVGXUNWCVEIGT-UHFFFAOYSA-NInChI: InChI=1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)
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PA 452,RXR拮抗剂CAS号 : 457657-34-0 Compound CID : 9803242分子式: C26H37N3O3 分子量: 439.59IUPAC Name: 2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acidSMILES: CCCCCCOC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)N(C)C3=NC=C(C=N3)C(=O)OInChIKey: JJUUTJCZMGZJDZ-UHFFFAOYSA-NInChI: InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)
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LY 2955303,RARγ拮抗剂CAS号 : 1433497-19-8 Compound CID : 71552369分子式: C36H42N4O3 分子量: 578.74IUPAC Name: 4-[5-(3,5-ditert-butylphenyl)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazol-3-yl]benzoic acidSMILES: CC(C)(C)C1=CC(=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)N4CCN(CC4)C)C5=CC=C(C=C5)C(=O)O)C(C)(C)CInChIKey: YVXYHNKIOFSFMZ-UHFFFAOYSA-NInChI: InChI=1S/C36H42N4O3/c1-35(2,3)28-20-27(21-29(22-28)36(4,5)6)32-23-31(24-8-10-26(11-9-24)34(42)43)37-40(32)30-14-12-25(13-15-30)33(41)39-18-16-38(7)17-19-39/h8-15,20-23H,16-19H2,1-7H3,(H,42,43)
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LG 101506,RXR调制器CAS号 : 331248-11-4 Compound CID : 9845057分子式: C25H34F2O3 分子量: 420.53IUPAC Name: (2E,4E,6Z)-7-[3,5-ditert-butyl-2-(2,2-difluoroethoxy)phenyl]-3-methylocta-2,4,6-trienoic acidSMILES: CC(=CC(=O)O)C=CC=C(C)C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)OCC(F)FInChIKey: BHIBZAZKKARFIM-XRYBSMBUSA-NInChI: InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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LG 100754,RXR:PPAR激动剂CAS号 : 180713-37-5 Compound CID : 6442223分子式: C26H36O3 分子量: 396.56IUPAC Name: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acidSMILES: CCCOC1=CC2=C(C=C1C(=CC=CC(=CC(=O)O)C)C)C(CCC2(C)C)(C)CInChIKey: HNODNXQAYXJFMQ-LQUSFLDPSA-NInChI: InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-
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LE 135,RARβ拮抗剂CAS号 : 155877-83-1 Compound CID : 10410894分子式: C29H30N2O2 分子量: 438.56IUPAC Name: 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acidSMILES: CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)CInChIKey: YZZAIQOVMHVWBS-UHFFFAOYSA-NInChI: InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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HX 630,RXR增效剂CAS号 : 188844-52-2 Compound CID : 9889522分子式: C28H27NO2S 分子量: 441.58IUPAC Name: 4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)benzoic acidSMILES: CC1(CCC(C2=C1C=C3C(=C2)SC4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)(C)C)CInChIKey: PFGCWQPTOKPRRK-UHFFFAOYSA-NInChI: InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)