小分子和化合物库
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SR 142948 水合物,NTS受体拮抗剂, NTS 1 受体拮抗剂CAS号: 184162-64-9分子式: C39H51N5O6·xH2O 分子量: 685.86(anhydrous)IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acidSMILES: CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OCInChIKey: LWULHXVBLMWCHO-UHFFFAOYSA-NInChI: See more
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牛磺胆酸钠 水合物CAS号: 345909-26-4 EC号: 205-653-7分子式: C26H44NNaO7S · xH2O 分子量: 537.68 (anhydrous basis)IUPAC Name: See moreSMILES: [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=OInChIKey: RDAJAQDLEFHVNR-NEMAEHQESA-MInChI: See more
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N-琥珀酰亚胺基4-(对-马来酰亚胺基苯基)丁酸酯CAS号: 79886-55-8分子式: C18H16N2O6 分子量: 356.33IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoateSMILES: C1CC(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N3C(=O)C=CC3=OInChIKey: PMJWDPGOWBRILU-UHFFFAOYSA-NInChI: 1S/C18H16N2O6/c21-14-8-9-15(22)19(14)13-6-4-12(5-7-13)2-1-3-18(25)26-20-16(23)10-11-17(20)24/h4-9H,1-3,10-11H2
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芒柄花苷CAS号: 486-62-4分子式: C22H22O9 分子量: 430.4IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)OInChIKey: MGJLSBDCWOSMHL-MIUGBVLSSA-NInChI: 1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
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N-辛酰基-DL-高丝氨酸内酯CAS号: 106983-30-6分子式: C12H21NO3 分子量: 227.3IUPAC Name: N-(2-oxooxolan-3-yl)octanamideSMILES: CCCCCCCC(=O)NC1CCOC1=OInChIKey: JKEJEOJPJVRHMQ-UHFFFAOYSA-NInChI: 1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)
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酸枣仁皂苷 ACAS号: 55466-04-1分子式: C58H94O26 分子量: 1207.35IUPAC Name: See moreSMILES: See moreInChIKey: KVKRFLVYJLIZFD-OQVAHBRNSA-NInChI: See more
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