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AZ 3146CAS号 : 1124329-14-1(DMSO)分子式: C24H32N6O3 分子量: 452.55SMILES: COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)N3C4CCCC4)C=CC(=C1)OC5CCN(C)CC5
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Apremilast (CC-10004)CAS号 : 608141-41-9(DMSO)分子式: C22H24N2O7S 分子量: 460.5SMILES: CCOC1=C(OC)C=CC(=C1)C(C[S](C)(=O)=O)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(C)=O
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CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
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咯利普兰CAS号 : 61413-54-5(DMSO)分子式: C16H21NO3 分子量: 275.34SMILES: COC1=C(OC2CCCC2)C=C(C=C1)C3CNC(=O)C3
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罗氟司特CAS号 : 162401-32-3(DMSO)分子式: C17H14Cl2F2N2O3 分子量: 403.21SMILES: FC(F)OC1=CC=C(C=C1OCC2CC2)C(=O)NC3=C(Cl)C=NC=C3Cl
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AN-2728CAS号 : 906673-24-3分子式: C14H10BNO3 分子量: 251.05IUPAC Name: 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrileSMILES: B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C#N)OInChIKey: USZAGAREISWJDP-UHFFFAOYSA-NInChI: InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
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木犀草苷CAS号 : 5373-11-5分子式: C21H20O11 分子量: 448.38IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)OInChIKey: PEFNSGRTCBGNAN-QNDFHXLGSA-NInChI: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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异丁司特CAS号 : 50847-11-5分子式: C14H18N2O 分子量: 230.31IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-oneSMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)CInChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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MPI-0479605CAS号 : 1246529-32-7分子式: C22H29N7O 分子量: 407.51IUPAC Name: 6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamineSMILES: CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4InChIKey: OVJBNYKNHXJGSA-UHFFFAOYSA-NInChI: InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
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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: InChI=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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特女贞苷CAS号 : 449733-84-0 Compound CID : 11146840分子式: C31H42O17 分子量: 686.66IUPAC Name: methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylateSMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC3C(C(C(C(O3)OCCC4=CC=C(C=C4)O)O)O)OInChIKey: STKUCSFEBXPTAY-GSUVRYNNSA-NInChI: InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3-/t17-,19+,20+,22+,23+,24-,25-,26+,27+,29-,30+,31-/m0/s1
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RO 20-1724CAS号 : 29925-17-5 Compound CID : 5087分子式: C15H22N2O3 分子量: 278.35IUPAC Name: 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-oneSMILES: CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OCInChIKey: PDMUULPVBYQBBK-UHFFFAOYSA-NInChI: InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
