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小分子和化合物库
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EC-23,光稳定的合成类维生素ACAS号 : 104561-41-3 Compound CID : 10314719分子式: C23H24O2 分子量: 332.44IUPAC Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)CInChIKey: OQVLOWLEEHYBJH-UHFFFAOYSA-NInChI: InChI=1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
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BMS 961,RARγ激动剂CAS号 : 185629-22-5 Compound CID : 2418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: InChI=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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他扎罗汀CAS号 : 118292-40-3(DMSO)分子式: C21H21NO2S 分子量: 351.46SMILES: CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(SCCC3(C)C)C=C2
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维生素A酸CAS号 : 302-79-4(DMSO)分子式: C20H28O2 分子量: 300.4SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)C(C)(C)CCC1
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阿达帕林CAS号 : 106685-40-9(DMSO)分子式: C28H28O3 分子量: 412.52SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(O)=O)[C]45CC6[CH2][CH](C[CH]([CH2]6)C4)C5
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替马罗汀酸CAS号 : 71441-28-6(DMSO) Compound CID : 5289501分子式: C24H28O2 分子量: 348.49IUPAC Name: 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acidSMILES: CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)CInChIKey: FOIVPCKZDPCJJY-JQIJEIRASA-NInChI: InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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TrifaroteneCAS号 : 895542-09-3(DMSO)分子式: C29H33NO4 分子量: 459.6SMILES: CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4
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TrifaroteneCAS号 : 895542-09-3 Compound CID : 11518241分子式: C29H33NO4 分子量: 459.6IUPAC Name: 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acidSMILES: CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCO)N4CCCC4InChIKey: MFBCDACCJCDGBA-UHFFFAOYSA-NInChI: InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)
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6-(5,5,8,8-Tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acidCAS号 : 110952-26-6 Compound CID : 2605分子式: C26H26O3 分子量: 386.5IUPAC Name: 6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acidSMILES: CC1(CCC(C2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O)(C)C)CInChIKey: RWYREGSYPCNZTL-UHFFFAOYSA-NInChI: InChI=1S/C26H26O3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
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阿达帕林CAS号 : 106685-40-9 Compound CID : 60164分子式: C28H28O3 分子量: 412.52IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acidSMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5InChIKey: LZCDAPDGXCYOEH-UHFFFAOYSA-NInChI: InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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CD437,RARγ激动剂CAS号 : 125316-60-1 Compound CID : 135411分子式: C27H26O3 分子量: 398.49IUPAC Name: 6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acidSMILES: C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)OInChIKey: LDGIHZJOIQSHPB-UHFFFAOYSA-NInChI: InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(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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维生素A酸CAS号 : 302-79-4分子式: C20H28O2 分子量: 300.44IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acidSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)CInChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-NInChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
