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他拉唑CAS号: 201410-53-9 Compound CID : 9799888分子式: C21H23N5S 分子量: 377.51IUPAC Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amineSMILES: CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4InChIKey: SNFYYXUGUBUECJ-UHFFFAOYSA-NInChI: 1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
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蓓萨罗丁CAS号: 153559-49-0分子式: C24H28O2 分子量: 348.48IUPAC Name: 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)C(CCC2(C)C)(C)CInChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-NInChI: 1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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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: 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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Ro 41-5253,视黄酸受体拮抗剂CAS号: 144092-31-9 Compound CID : 5312120分子式: C28H36O5S 分子量: 484.7IUPAC Name: 4-[(E)-2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acidSMILES: CCCCCCCOC1=CC2=C(C=C1C(=CC3=CC=C(C=C3)C(=O)O)C)C(CCS2(=O)=O)(C)CInChIKey: JEIWQRITHXYGIF-LVZFUZTISA-NInChI: 1S/C28H36O5S/c1-5-6-7-8-9-15-33-25-19-26-24(28(3,4)14-16-34(26,31)32)18-23(25)20(2)17-21-10-12-22(13-11-21)27(29)30/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,29,30)/b20-17+
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帕罗伐汀（R 667）CAS号: 410528-02-8 Compound CID : 10295295分子式: C27H30N2O2 分子量: 414.54IUPAC Name: 4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acidSMILES: CC1(CCC(C2=C1C=C(C(=C2)C=CC3=CC=C(C=C3)C(=O)O)CN4C=CC=N4)(C)C)CInChIKey: YTFHCXIPDIHOIA-DHZHZOJOSA-NInChI: 1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
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(+)-TalarozoleCAS号: 201410-66-4 Compound CID : 9799888分子式: C21H23N5S 分子量: 377.51IUPAC Name: N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amineSMILES: CCC(CC)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=NC=N4InChIKey: SNFYYXUGUBUECJ-UHFFFAOYSA-NInChI: 1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
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AGN194204CAS号: 220619-73-8 Compound CID : 9863341分子式: C24H32O2 分子量: 352.51IUPAC Name: (2E,4E)-3-methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acidSMILES: CC(=CC(=O)O)C=CC1CC1(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)CInChIKey: BOOOLEGQBVUTKC-NVQSDHBMSA-NInChI: 1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
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AGN-195183CAS号: 367273-07-2 Compound CID : 9867758分子式: C22H22ClF2NO4 分子量: 437.86IUPAC Name: 4-[(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]-2,6-difluorobenzoic acidSMILES: CC1(CCC(C2=C1C=C(C(=C2Cl)O)C(=O)NC3=CC(=C(C(=C3)F)C(=O)O)F)(C)C)CInChIKey: PNAWUIKCVQSLFG-UHFFFAOYSA-NInChI: 1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
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AGN 196996CAS号: 958295-17-5 Compound CID : 24785198分子式: C24H20BrNO5 分子量: 482.32IUPAC Name: 4-[[3-bromo-4-ethoxy-5-(4-methylbenzoyl)benzoyl]amino]benzoic acidSMILES: CCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)CInChIKey: BUGXGZOGQGUTBC-UHFFFAOYSA-NInChI: 1S/C24H20BrNO5/c1-3-31-22-19(21(27)15-6-4-14(2)5-7-15)12-17(13-20(22)25)23(28)26-18-10-8-16(9-11-18)24(29)30/h4-13H,3H2,1-2H3,(H,26,28)(H,29,30)
