小分子
选项
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Lirametostat (CPI-1205)CAS号 : 1621862-70-1(DMSO)分子式: C27H33F3N4O3 分子量: 518.57SMILES: COC1=C(CNC(=O)C2=C(C)[N](C(C)C3CCN(CC3)CC(F)(F)F)C4=C2C=CC=C4)C(=O)NC(=C1)C
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GSK126CAS号 : 1346574-57-9(DMSO)分子式: C31H38N6O2 分子量: 526.67SMILES: CCC(C)[N]1C=C(C)C2=C(C=C(C=C12)C3=CC=C(N=C3)N4CCNCC4)C(=O)NCC5=C(C)C=C(C)NC5=O
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Tazemetostat (EPZ-6438)CAS号 : 1403254-99-8(DMSO)分子式: C34H44N4O4 分子量: 572.74SMILES: CCN(C1CCOCC1)C2=C(C)C(=CC(=C2)C3=CC=C(CN4CCOCC4)C=C3)C(=O)NCC5=C(C)C=C(C)NC5=O
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利哌酮CAS号 : 106266-06-2(DMSO)分子式: C23H27FN4O2 分子量: 410.48SMILES: CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C(=O)N5CCCCC5=N1
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氟哌啶醇CAS号 : 52-86-8(DMSO)分子式: C21H23ClFNO2 分子量: 375.86SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C3=CC=C(Cl)C=C3
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氯普噻吨CAS号 : 113-59-7(DMSO)分子式: C18H18ClNS 分子量: 315.86SMILES: CN(C)CC/C=C1/C2=CC=CC=C2SC3=C1C=C(Cl)C=C3
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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CPI-360CAS号 : 1802175-06-9分子式: C25H31N3O4 分子量: 437.53IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamideSMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCOCC4)C)OCInChIKey: PFPSFENQCNMITC-MRXNPFEDSA-NInChI: InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
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卡麦角林CAS号 : 81409-90-7分子式: C26H37N5O2 分子量: 451.6IUPAC Name: (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamideSMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=CInChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-NInChI: InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
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EI1CAS号 : 1418308-27-6分子式: C23H26N4O2 分子量: 390.48IUPAC Name: 6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamideSMILES: CCC(CC)N1C=CC2=C(C=C(C=C21)C#N)C(=O)NCC3=C(C=C(NC3=O)C)CInChIKey: PFHDWRIVDDIFRP-UHFFFAOYSA-NInChI: InChI=1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)
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GSK503CAS号 : 1346572-63-1分子式: C31H38N6O2 分子量: 526.67IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindole-4-carboxamideSMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C(=CN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)C)C)CInChIKey: HRDQQHUKUIKFHT-UHFFFAOYSA-NInChI: InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
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JQEZ5CAS号 : 1913252-04-6分子式: C30H38N8O2 分子量: 542.69IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamideSMILES: CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CN=C(C=C4)N5CCN(CC5)CInChIKey: LQTWDAYNGMMHLV-UHFFFAOYSA-NInChI: InChI=1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)