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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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NNC 63-0532,非肽NOP激动剂CAS号 : 250685-44-0 Compound CID : 9803475分子式: C27H29N3O3 分子量: 443.54IUPAC Name: methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetateSMILES: COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5InChIKey: AQMPIDSGLFVVPL-UHFFFAOYSA-NInChI: InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
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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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ER 50891,RARα拮抗剂CAS号 : 187400-85-7 Compound CID : 10094345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: InChI=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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BMS 195614CAS号 : 253310-42-8 Compound CID : 445091分子式: C29H24N2O3 分子量: 448.51IUPAC Name: 4-[(5,5-dimethyl-8-quinolin-3-yl-6H-naphthalene-2-carbonyl)amino]benzoic acidSMILES: CC1(CC=C(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC5=CC=CC=C5N=C4)CInChIKey: WGLMBRZXZDAQHP-UHFFFAOYSA-NInChI: InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)
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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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蓓萨罗丁CAS号 : 153559-49-0(DMSO)分子式: C24H28O2 分子量: 348SMILES: CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(O)=O)C(C)(C)CCC2(C)C
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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)
