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小分子和化合物库
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(R)-萝卜硫烷CAS号: 142825-10-3分子式: C6H11NOS2 分子量: 177.29IUPAC Name: 1-isothiocyanato-4-[(R)-methylsulfinyl]butaneSMILES: CS(=O)CCCCN=C=SInChIKey: SUVMJBTUFCVSAD-SNVBAGLBSA-NInChI: 1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1
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D-Lin-MC3-DMA,阳离子脂质CAS号: 1224606-06-7分子式: C43H79NO2 分子量: 642.09IUPAC Name: [(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] 4-(dimethylamino)butanoateSMILES: CCCCCC=CCC=CCCCCCCCCC(CCCCCCCCC=CCC=CCCCCC)OC(=O)CCCN(C)CInChIKey: NRLNQCOGCKAESA-KWXKLSQISA-NInChI: See more
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N-辛基吡啶双（三氟甲烷磺酰）亚胺盐CAS号: 384347-06-2分子式: C15H22O4N2S2F6 分子量: 472.46IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-octylpyridin-1-iumSMILES: CCCCCCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)FInChIKey: REYBKXICDFBMEW-UHFFFAOYSA-NInChI: 1S/C13H22N.C2F6NO4S2/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7,9-10,12-13H,2-6,8,11H2,1H3;/q+1;-1
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癸基泛醌（2,3-Dmdb）CAS号: 55486-00-5分子式: C19H30O4 分子量: 322.44IUPAC Name: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dioneSMILES: CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)CInChIKey: VMEGFMNVSYVVOM-UHFFFAOYSA-NInChI: 1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3
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HPFCAS号: 359010-69-8 Compound CID : 16760638分子式: C26H16O6 分子量: 424.40IUPAC Name: 3'-hydroxy-6'-(4-hydroxyphenoxy)spiro[2-benzofuran-3,9'-xanthene]-1-oneSMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC6=CC=C(C=C6)OInChIKey: NPOSMYDPUKBGQL-UHFFFAOYSA-NInChI: 1S/C26H16O6/c27-15-5-8-17(9-6-15)30-18-10-12-22-24(14-18)31-23-13-16(28)7-11-21(23)26(22)20-4-2-1-3-19(20)25(29)32-26/h1-14,27-28H
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N-(呋喃-2-基甲基)-4-甲基苯胺CAS号: 3139-27-3分子式: C12H13NO 分子量: 187.24IUPAC Name: N-(furan-2-ylmethyl)-4-methylanilineSMILES: CC1=CC=C(C=C1)NCC2=CC=CO2InChIKey: BHQOFWPBMQRCQK-UHFFFAOYSA-NInChI: 1S/C12H13NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-8,13H,9H2,1H3
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酒美贝维林CAS号: 14367-47-6分子式: C16H27NO2 分子量: 265.39IUPAC Name: 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-olSMILES: CCN(CCCCO)C(C)CC1=CC=C(C=C1)OCInChIKey: ZGZAPRVKIAFOPL-UHFFFAOYSA-NInChI: 1S/C16H27NO2/c1-4-17(11-5-6-12-18)14(2)13-15-7-9-16(19-3)10-8-15/h7-10,14,18H,4-6,11-13H2,1-3H3
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(±)17-HDHACAS号: 90780-52-2分子式: C22H32O3 分子量: 344.49IUPAC Name: (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acidSMILES: CCC=CCC(C=CC=CCC=CCC=CCC=CCCC(=O)O)OInChIKey: SWTYBBUBEPPYCX-VIIQGJSXSA-NInChI: 1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
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15-酮-前列腺素F2αCAS号: 35850-13-6分子式: C20H32O5 分子量: 352.5IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acidSMILES: CCCCCC(=O)C=CC1C(CC(C1CC=CCCCC(=O)O)O)OInChIKey: LOLJEILMPWPILA-AMFHKTBMSA-NInChI: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1
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N-Boc-溴代四聚乙二醇CAS号: 1076199-21-7分子式: C13H26BrNO5 分子量: 356.25IUPAC Name: tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]carbamateSMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCBrInChIKey: GNDQONYTPMGMTM-UHFFFAOYSA-NInChI: 1S/C13H26BrNO5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11H2,1-3H3,(H,15,16)
