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小分子和化合物库
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BIX02189,MEK5和ERK5抑制剂CAS号 : 1265916-41-3 Compound CID : 135659062分子式: C27H28N4O2 分子量: 440.54IUPAC Name: 3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-6-carboxamideSMILES: CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)OInChIKey: ZGXOBLVQIVXKEB-UHFFFAOYSA-NInChI: InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,29,32H,17H2,1-4H3
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GS-9620,Toll-Like Receptor-7（TLR-7）激动剂CAS号 : 1228585-88-3 Compound CID : 46241268分子式: C22H30N6O2 分子量: 410.51IUPAC Name: 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-oneSMILES: CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)NInChIKey: VFOKSTCIRGDTBR-UHFFFAOYSA-NInChI: InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
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SM 324405,TLR7激动剂CAS号 : 677773-91-0 Compound CID : 23079483分子式: C19H23N5O4 分子量: 385.42IUPAC Name: methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetateSMILES: CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC(=C3)CC(=O)OC)NInChIKey: MXILFZWMVNDOIZ-UHFFFAOYSA-NInChI: InChI=1S/C19H23N5O4/c1-3-4-8-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-7-5-6-12(9-13)10-14(25)27-2/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,21,26)(H2,20,22,23)
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类似Toll的受体7配体IICAS号 : 226907-52-4 Compound CID : 10018576分子式: C15H17N5O3 分子量: 315.33IUPAC Name: 6-amino-9-benzyl-2-(2-methoxyethoxy)-7H-purin-8-oneSMILES: COCCOC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=CC=C3)NInChIKey: YYCDGEZXHXHLGW-UHFFFAOYSA-NInChI: InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)
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BIX 02188CAS号 : 1094614-84-2(DMSO)分子式: C25H24N4O2 分子量: 412.48SMILES: CNC(=O)C1=CC=C\2C(=C1)NC(=O)C2=C(\NC3=CC(=CC=C3)CN(C)C)C4=CC=CC=C4
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BIX 02189CAS号 : 1094614-85-3(DMSO)分子式: C27H28N4O2 分子量: 440.54SMILES: CN(C)CC1=CC=CC(=C1)N/C(C2=CC=CC=C2)=C/3C(=O)NC4=CC(=CC=C34)C(=O)N(C)C
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Barasertib (AZD1152-HQPA)CAS号 : 722544-51-6(DMSO)分子式: C26H30FN7O3 分子量: 507.56SMILES: CCN(CCO)CCCOC1=CC=C2C(=NC=NC2=C1)NC3=CC(=N[NH]3)CC(=O)NC4=CC=CC(=C4)F
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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Dasatinib (BMS-354825)CAS号 : 302962-49-8(DMSO)分子式: C22H26ClN7O2S 分子量: 488.01SMILES: CC1=NC(=CC(=N1)N2CCN(CCO)CC2)NC3=NC=C(S3)C(=O)NC4=C(Cl)C=CC=C4C
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Foretinib (GSK1363089)CAS号 : 849217-64-7(DMSO)分子式: C34H34F2N4O6 分子量: 632.65SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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PLX-4720CAS号 : 918505-84-7(DMSO)分子式: C17H14ClF2N3O3S 分子量: 413.83SMILES: CCC[S](=O)(=O)NC1=CC=C(F)C(=C1F)C(=O)C2=C[NH]C3=NC=C(Cl)C=C23
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Torkinib (PP242)CAS号 : 1092351-67-1(DMSO)分子式: C16H16N6O 分子量: 308.34SMILES: CC(C)[N]1N=C(C2=CC3=C([NH]2)C=CC(=C3)O)C4=C(N)N=CN=C14
