小分子和化合物库
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依利罗地CAS号 : 119431-25-3 Compound CID : 60703分子式: C20H23ClFNO 分子量: 347.85IUPAC Name: 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanolSMILES: C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)OInChIKey: GGUSQTSTQSHJAH-UHFFFAOYSA-NInChI: InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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Ro 25-6981CAS号 : 169274-78-6 Compound CID : 6604887分子式: C22H29NO2 分子量: 339.47IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenolSMILES: CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)OInChIKey: WVZSEUPGUDIELE-HTAPYJJXSA-NInChI: InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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Ro 25-6981马来酸盐CAS号 : 169274-78-6 Compound CID : 6604887分子式: C22H29NO2 分子量: 339.47IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenolSMILES: CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)OInChIKey: WVZSEUPGUDIELE-HTAPYJJXSA-NInChI: InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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羟布宗分子式: C19H20N2O3 分子量: 324.37IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dioneSMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-NInChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
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吲哚美辛CAS号 : 53-86-1(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC=C2[N](C(=C(CC(O)=O)C2=C1)C)C(=O)C3=CC=C(Cl)C=C3
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苯基丁氮酮CAS号 : 50-33-9(DMSO)分子式: C19H20N2O2 分子量: 308.37SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
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