化学生物学
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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N-(2-氟苯基)肉桂酰胺CAS号 : 25893-50-9 Compound CID : 875024分子式: C15H12FNO 分子量: 241.26IUPAC Name: (E)-N-(2-fluorophenyl)-3-phenylprop-2-enamideSMILES: C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2FInChIKey: GFAVMCPSQILRPK-ZHACJKMWSA-NInChI: InChI=1S/C15H12FNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18)/b11-10+
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1,3-BIS(3,4-二氯苯)脲分子式: C13H8Cl4N2O 分子量: 350.034IUPAC Name: 1,3-bis(3,4-dichlorophenyl)ureaSMILES: C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)ClInChIKey: ZDPIZPXVHVYTOK-UHFFFAOYSA-NInChI: InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
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1-苄基-4-(5,6-二甲氧基-1-氧杂茚满-2-基茚甲基)哌啶CAS号 : 120014-07-5 Compound CID : 10762160分子式: C24H27NO3 分子量: 377.5IUPAC Name: (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OCInChIKey: LPMOTUSFDTTWJL-UDWIEESQSA-NInChI: InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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N,3-二(苯基)丙-2-烯酰胺分子式: C15H13NO 分子量: 223.277IUPAC Name: (E)-N,3-diphenylprop-2-enamideSMILES: C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2InChIKey: FIIZQHKGJMRJIL-VAWYXSNFSA-NInChI: InChI=1S/C15H13NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H,16,17)/b12-11+
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2,4-二羟基吡咯[2,3-d]嘧啶CAS号 : 39929-79-8 Compound CID : 11819216分子式: C6H5N3O2 分子量: 151.1IUPAC Name: 1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dioneSMILES: C1=CNC2=C1C(=O)NC(=O)N2InChIKey: HASUWNAFLUMMFI-UHFFFAOYSA-NInChI: InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)