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依鲁替尼 (PCI-32765)CAS号 : 936563-96-1 Compound CID : 24821094分子式: C25H24N6O2 分子量: 440.5IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-oneSMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)NInChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-NInChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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普纳替尼 (AP24534)CAS号 : 943319-70-8 Compound CID : 24826799分子式: C29H27F3N6O 分子量: 532.57IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamideSMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-NInChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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达沙替尼CAS号 : 302962-49-8分子式: C22H26ClN7O2S 分子量: 488.01IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOInChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-NInChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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CL 075,TLR8激动剂CAS号 : 256922-53-9 Compound CID : 10198719分子式: C13H13N3S 分子量: 243.33IUPAC Name: 2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amineSMILES: CCCC1=NC2=C(S1)C3=CC=CC=C3N=C2NInChIKey: NFYMGJSUKCDVJR-UHFFFAOYSA-NInChI: InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
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CU-CPT-8mCAS号 : 125079-83-6 Compound CID : 15042086分子式: C14H12N4O 分子量: 252.27IUPAC Name: 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamideSMILES: CC1=CC(=CC=C1)C2=CC=NC3=C(C=NN23)C(=O)NInChIKey: HNKGGVGQAVODNJ-UHFFFAOYSA-NInChI: InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)
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Motolimod (VTX-2337)CAS号 : 926927-61-9 Compound CID : 16049404分子式: C28H34N4O2 分子量: 458.6IUPAC Name: 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamideSMILES: CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCC4)N=C(C1)NInChIKey: QSPOQCXMGPDIHI-UHFFFAOYSA-NInChI: InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)
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Motolimod (VTX-2337)CAS号 : 926927-61-9 Compound CID : 16049404分子式: C28H34N4O2 分子量: 458.6IUPAC Name: 2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamideSMILES: CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCC4)N=C(C1)NInChIKey: QSPOQCXMGPDIHI-UHFFFAOYSA-NInChI: InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)
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TLR7/8 agonist 1CAS号 : 1258457-59-8(DMSO)分子式: C22H25N5 分子量: 359.5SMILES: CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4N=C2N
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TLR7 agonist 3CAS号 : 1229024-78-5(DMSO)分子式: C18H24N4O 分子量: 312.41SMILES: CCCCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N
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TLR7 agonist 3CAS号 : 1229024-78-5 Compound CID : 21470208分子式: C18H24N4O 分子量: 312.41IUPAC Name: 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-olSMILES: CCCCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NInChIKey: GITVQUOQRHRGQQ-UHFFFAOYSA-NInChI: InChI=1S/C18H24N4O/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20)
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TLR7/8/9-IN-1CAS号 : 2180127-82-4 Compound CID : 134230357分子式: C27H37N3O2 分子量: 435.60IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamineSMILES: CC(C)C1=C(NC2=C1C=C(C=C2)C3CCN(CC3)CCNC)C4=CC(=C(C=C4)OC)OCInChIKey: UKYUETHIPBXYBQ-UHFFFAOYSA-NInChI: InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3
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TLR7/8 agonist 1CAS号 : 1258457-59-8 Compound CID : 52945312分子式: C22H25N5 分子量: 359.5IUPAC Name: 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amineSMILES: CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4N=C2NInChIKey: SDSKFWHQCNBICO-UHFFFAOYSA-NInChI: InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)
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