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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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卡格列净半水合物CAS号 : 928672-86-0 Compound CID : 24997615分子式: 2C24H25FO5S • (H2O) 分子量: 907.05IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrateSMILES: CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.OInChIKey: VHOFTEAWFCUTOS-TUGBYPPCSA-NInChI: InChI=1S/2C24H25FO5S.H2O/c2*1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14;/h2*2-10,19,21-24,26-29H,11-12H2,1H3;1H2/t2*19-,21-,22+,23-,24+;/m11./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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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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Canagliflozin (JNJ 28431754)CAS号 : 842133-18-0(DMSO)分子式: C24H25FO5S 分子量: 444.52SMILES: CC1=C(CC2=CC=C(S2)C3=CC=C(F)C=C3)C=C(C=C1)C4OC(CO)C(O)C(O)C4O
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Empagliflozin (BI 10773)CAS号 : 864070-44-0(DMSO)分子式: C23H27ClO7 分子量: 450.91SMILES: OCC1OC(C(O)C(O)C1O)C2=CC(=C(Cl)C=C2)CC3=CC=C(OC4CCOC4)C=C3
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根皮苷CAS号 : 60-81-1(DMSO)分子式: C21H24O10 分子量: 436.41SMILES: OCC1OC(OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(=CC(=C2)O)O)C(O)C(O)C1O
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达格列嗪CAS号 : 461432-26-8(DMSO)分子式: C21H25ClO6 分子量: 408.87SMILES: CCOC1=CC=C(CC2=CC(=CC=C2Cl)C3OC(CO)C(O)C(O)C3O)C=C1
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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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卡格列净半水CAS号 : 928672-86-0 Compound CID : 24997615分子式: 2C24H25FO5S • (H2O) 分子量: 907.05IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrateSMILES: CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.OInChIKey: VHOFTEAWFCUTOS-TUGBYPPCSA-NInChI: InChI=1S/2C24H25FO5S.H2O/c2*1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14;/h2*2-10,19,21-24,26-29H,11-12H2,1H3;1H2/t2*19-,21-,22+,23-,24+;/m11./s1
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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)
