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R406（游离碱）CAS号 : 841290-80-0 Compound CID : 11213558分子式: C22H23FN6O5 分子量: 470.45IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-oneSMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)CInChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-NInChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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来他替尼CAS号 : 111358-88-4 Compound CID : 126565分子式: C26H21N3O4 分子量: 439.46IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-oneSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OInChIKey: UIARLYUEJFELEN-LROUJFHJSA-NInChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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R406 (free base)CAS号 : 841290-80-0 Compound CID : 11213558分子式: C22H23FN6O5 分子量: 470.45IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-oneSMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)CInChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-NInChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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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
