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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4-(4-氟苯酚)-2-嘧啶CAS号 : 155957-43-0 Compound CID : 1474642分子式: C10H7FN2S 分子量: 206.243IUPAC Name: 6-(4-fluorophenyl)-1H-pyrimidine-2-thioneSMILES: C1=CC(=CC=C1C2=CC=NC(=S)N2)FInChIKey: IKNROSDVLWITKJ-UHFFFAOYSA-NInChI: InChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
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蓓萨罗丁中间体4CAS号 : 153559-46-7 Compound CID : 9810431分子式: C23H26O3 分子量: 350.45IUPAC Name: 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acidSMILES: CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)CInChIKey: QADGBOQVBUXZKO-UHFFFAOYSA-NInChI: InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
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2-氨基-4-(2-萘基)噻唑CAS号 : 21331-43-1 Compound CID : 673702分子式: C13H10N2S 分子量: 226.302IUPAC Name: 4-naphthalen-2-yl-1,3-thiazol-2-amineSMILES: C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NInChIKey: GWDNDNTTXIIXRS-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)