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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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伯舒替尼 (SKI-606)CAS号 : 380843-75-4 Compound CID : 5328940分子式: C26H29Cl2N5O3 分子量: 530.45IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrileSMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OCInChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-NInChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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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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羟基氯喹分子式: C18H26ClN3O 分子量: 335.9IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanolSMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCOInChIKey: XXSMGPRMXLTPCZ-UHFFFAOYSA-NInChI: InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
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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 2CAS号 : 1642857-69-9(DMSO)分子式: C17H16N6O2 分子量: 336.35SMILES: CC1=CC(=NO1)COC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=N4)N
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PF-4878691CAS号 : 532959-63-0(DMSO)分子式: C17H23N5O2S 分子量: 361.5SMILES: CCC1=NC2=C(N1CCCCNS(=O)(=O)C)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 agonist 2CAS号 : 1642857-69-9 Compound CID : 86346192分子式: C17H16N6O2 分子量: 336.35IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amineSMILES: CC1=CC(=NO1)COC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=N4)NInChIKey: FVKOYFLAKSGBBV-UHFFFAOYSA-NInChI: InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
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PF-4878691CAS号 : 532959-63-0 Compound CID : 10309114分子式: C17H23N5O2S 分子量: 361.5IUPAC Name: N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamideSMILES: CCC1=NC2=C(N1CCCCNS(=O)(=O)C)C3=CC=CC=C3N=C2NInChIKey: YZOQZEXYFLXNKA-UHFFFAOYSA-NInChI: InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
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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
