化学生物学
选项
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氟西汀CAS号 : 54910-89-3分子式: C17H18F3NO 分子量: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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氟西汀CAS号 : 54910-89-3分子式: C17H18F3NO 分子量: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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1-(4-氯苯甲基)靛红CAS号 : 26960-66-7 Compound CID : 277990分子式: C15H10ClNO2 分子量: 271.705IUPAC Name: 1-[(4-chlorophenyl)methyl]indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)ClInChIKey: VEBLIIOSJXGVAW-UHFFFAOYSA-NInChI: InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
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1-(3,4-二甲基-苯基)-2-苯基-乙烷-1,2-二酮CAS号 : 59411-15-3 Compound CID : 2427416分子式: C16H14O2 分子量: 238.289IUPAC Name: 1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dioneSMILES: CC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)CInChIKey: UJARQLWFLLIFBN-UHFFFAOYSA-NInChI: InChI=1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3
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4,6-二氯-1h-吲哚-2,3-二酮CAS号 : 18711-15-4 Compound CID : 251908分子式: C8H3Cl2NO2 分子量: 216IUPAC Name: 4,6-dichloro-1H-indole-2,3-dioneSMILES: C1=C(C=C(C2=C1NC(=O)C2=O)Cl)ClInChIKey: CGCVHJCZBIYRQC-UHFFFAOYSA-NInChI: InChI=1S/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)
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匹莫范色林CAS号 : 706779-91-1 Compound CID : 10071196分子式: C25H34FN3O2 分子量: 427.6IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]ureaSMILES: CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)CInChIKey: RKEWSXXUOLRFBX-UHFFFAOYSA-NInChI: InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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SB 242084CAS号 : 181632-25-7 Compound CID : 16219981分子式: C21H19ClN4O2 分子量: 394.85IUPAC Name: 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochlorideSMILES: CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.ClInChIKey: GCMNSEILNIPNSX-UHFFFAOYSA-NInChI: InChI=1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H
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Telotristat,色氨酸羟化酶抑制剂CAS号 : 1033805-22-9 Compound CID : 25181577分子式: C27H26ClF3N6O3 分子量: 574.99IUPAC Name: ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoateSMILES: CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)NInChIKey: MDSQOJYHHZBZKA-GBXCKJPGSA-NInChI: InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1