小分子和化合物库
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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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NNC 55-0396二盐酸盐CAS号 : 357400-13-6 Compound CID : 22084904分子式: C30H40Cl2FN3O2 分子量: 564.6IUPAC Name: [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate;dihydrochlorideSMILES: CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)C5CC5)C=C(C=C2)F.Cl.ClInChIKey: BCCQNBXHUMKLFW-HNQRYHMESA-NInChI: InChI=1S/C30H38FN3O2.2ClH/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27;;/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33);2*1H/t28-,30-;;/m0../s1
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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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(2R/S)-6-PNG,CaV3.2阻滞剂CAS号 : 68682-01-9 Compound CID : 3519901分子式: C20H20O5 分子量: 340.37IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneSMILES: CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)CInChIKey: YHWNASRGLKJRJJ-UHFFFAOYSA-NInChI: InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
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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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SM-276001CAS号 : 473930-22-2 Compound CID : 10359083分子式: C16H21N7O 分子量: 327.38IUPAC Name: 6-amino-2-(butylamino)-9-[(6-methylpyridin-3-yl)methyl]-7H-purin-8-oneSMILES: CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CN=C(C=C3)C)NInChIKey: UEIOLEMXCBOQAX-UHFFFAOYSA-NInChI: InChI=1S/C16H21N7O/c1-3-4-7-18-15-21-13(17)12-14(22-15)23(16(24)20-12)9-11-6-5-10(2)19-8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,24)(H3,17,18,21,22)
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伊福地平CAS号 : 111011-63-3 Compound CID : 119171分子式: C34H38N3O7P 分子量: 631.66IUPAC Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateSMILES: CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5InChIKey: NSVFSAJIGAJDMR-UHFFFAOYSA-NInChI: InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3
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GS-9620CAS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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咪喹莫特CAS号 : 99011-02-6 Compound CID : 57469分子式: C14H16N4 分子量: 240.31IUPAC Name: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amineSMILES: CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2NInChIKey: DOUYETYNHWVLEO-UHFFFAOYSA-NInChI: InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
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SM 324405CAS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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雷西莫德CAS号 : 144875-48-9(DMSO) Compound CID : 159603分子式: C17H22N4O2 分子量: 314.38IUPAC Name: 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-olSMILES: CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NInChIKey: BXNMTOQRYBFHNZ-UHFFFAOYSA-NInChI: InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
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TTA-A2CAS号 : 953778-63-7(DMSO)分子式: C20H21F3N2O2 分子量: 378.39SMILES: CC(C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)CC2=CC=C(C=C2)C3CC3
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