RAR/RXR
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HX 531,RXR拮抗剂CAS号: 188844-34-0分子式: C29H29N3O4 分子量: 483.56IUPAC Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acidSMILES: CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)CInChIKey: SXKPGYKPQPYJER-UHFFFAOYSA-NInChI: 1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)
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Fluorobexarotene,RXR激动剂CAS号: 1190848-23-7分子式: C24H27FO2 分子量: 366.47IUPAC Name: 2-fluoro-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acidSMILES: CC1=CC2=C(C=C1C(=C)C3=CC(=C(C=C3)C(=O)O)F)C(CCC2(C)C)(C)CInChIKey: LWKAWHRSPCHMPJ-UHFFFAOYSA-NInChI: 1S/C24H27FO2/c1-14-11-19-20(24(5,6)10-9-23(19,3)4)13-18(14)15(2)16-7-8-17(22(26)27)21(25)12-16/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,26,27)
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ER 50891,RARα拮抗剂CAS号: 187400-85-7分子式: C29H24N2O2 分子量: 432.51IUPAC Name: 4-[5-(4-phenyl-8-propan-2-ylquinolin-2-yl)-1H-pyrrol-2-yl]benzoic acidSMILES: CC(C)C1=CC=CC2=C1N=C(C=C2C3=CC=CC=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)OInChIKey: LSGNKLDHMQVTEK-UHFFFAOYSA-NInChI: 1S/C29H24N2O2/c1-18(2)22-9-6-10-23-24(19-7-4-3-5-8-19)17-27(31-28(22)23)26-16-15-25(30-26)20-11-13-21(14-12-20)29(32)33/h3-18,30H,1-2H3,(H,32,33)
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DC 271,荧光视黄酸类似物CAS号: 198696-03-6分子式: C₂₃H₂₅NO₂ 分子量: 347.46SMILES: CC(N1CCC(C)(C2=CC(C#CC3=CC=C(C(O)=O)C=C3)=CC=C12)C)CInChIKey: OCMSZODRCJAGHL-UHFFFAOYSA-N
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Ch 55,RAR激动剂CAS号: 110368-33-7分子式: C24H28O3 分子量: 364.47IUPAC Name: 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acidSMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)CInChIKey: FOUVTBKPJRMLPE-FMIVXFBMSA-NInChI: 1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+
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CD 1530,RARγ激动剂CAS号: 107430-66-0分子式: C27H26O3 分子量: 398.49IUPAC Name: 4-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]benzoic acidSMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)OInChIKey: VCQGNUWOMLYNNG-UHFFFAOYSA-NInChI: 1S/C27H26O3/c28-25-12-22-6-5-21(19-1-3-20(4-2-19)26(29)30)10-23(22)11-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
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CD 3254,RXRα激动剂CAS号: 196961-43-0分子式: C24H28O3 分子量: 364.48IUPAC Name: (E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acidSMILES: CC1=CC2=C(C=C1C3=C(C=CC(=C3)C=CC(=O)O)O)C(CCC2(C)C)(C)CInChIKey: DYLLZSVPAUUSSB-VQHVLOKHSA-NInChI: 1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+
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CD 2665,RARβ/γ拮抗剂CAS号: 170355-78-9分子式: C31H34O5 分子量: 486.6IUPAC Name: 4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acidSMILES: COCCOCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5InChIKey: JBALRFFXKQPVLT-UHFFFAOYSA-NInChI: 1S/C31H34O5/c1-34-8-9-35-19-36-29-15-26-7-6-25(23-2-4-24(5-3-23)30(32)33)13-27(26)14-28(29)31-16-20-10-21(17-31)12-22(11-20)18-31/h2-7,13-15,20-22H,8-12,16-19H2,1H3,(H,32,33)
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CD 2314,RARβ激动剂CAS号: 170355-37-0分子式: C23H24O2S 分子量: 364.5IUPAC Name: 5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acidSMILES: CC1(CCC(C2=C1C=C3C=CC(=CC3=C2)C4=CC(=CS4)C(=O)O)(C)C)CInChIKey: URUSABQSUCBGGJ-UHFFFAOYSA-NInChI: 1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)
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BMS 961,RARγ激动剂CAS号: 185629-22-5分子式: C23H26FNO4 分子量: 399.46IUPAC Name: 3-fluoro-4-[[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C(C(=O)NC3=C(C=C(C=C3)C(=O)O)F)O)(C)C)CInChIKey: AANFHDFOMFRLLR-UHFFFAOYSA-NInChI: 1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)
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BMS 493,泛RAR反向激动剂CAS号: 215030-90-3分子式: C29H24O2 分子量: 404.5IUPAC Name: 4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acidSMILES: CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=CC=C4)CInChIKey: YCADIXLLWMXYKW-CMDGGOBGSA-NInChI: 1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+
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BMS 453,合成类维生素A和RARβ激动剂CAS号: 166977-43-1分子式: C27H24O2 分子量: 380.48IUPAC Name: 4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acidSMILES: CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)CInChIKey: VUODRPPTYLBGFM-CMDGGOBGSA-NInChI: 1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+
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