Dengue virus
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氯雷他定CAS号 : 79794-75-5 Compound CID : 3957分子式: C22H23ClN2O2 分子量: 382.88IUPAC Name: ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylateSMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1InChIKey: JCCNYMKQOSZNPW-UHFFFAOYSA-NInChI: InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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1,8-二羟基-4,5-二硝基蒽醌CAS号 : 81-55-0分子式: C14H6N2O8 分子量: 330.21IUPAC Name: 1,8-dihydroxy-4,5-dinitroanthracene-9,10-dioneSMILES: C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])OInChIKey: GJCHQJDEYFYWER-UHFFFAOYSA-NInChI: InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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ML-SA1,TRPML激动剂CAS号 : 332382-54-4 Compound CID : 2880983分子式: C22H22N2O3 分子量: 362.42IUPAC Name: 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dioneSMILES: CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)CInChIKey: KDDHBJICVBONAX-UHFFFAOYSA-NInChI: InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3
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盐酸奎宁分子式: C20H26Cl2N2O2 分子量: 397.339IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochlorideSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl.ClInChIKey: NNKXWRRDHYTHFP-HZQSTTLBSA-NInChI: InChI=1S/C20H24N2O2.2ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H/t13-,14-,19-,20+;;/m0../s1
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HymeglusinCAS号 : 29066-42-0 Compound CID : 6440895分子式: C18H28O5 分子量: 324.41IUPAC Name: (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acidSMILES: OC[C@@H](C1=O)[C@H](O1)CCCC[C@@H](C)C/C(C)=C/C(C)=C/C(O)=OInChIKey: ODCZJZWSXPVLAW-KXCGKLMDSA-NInChI: InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1
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奎宁盐酸盐分子式: C20H24N2O2.HCl 分子量: 360.88IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochlorideSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.ClInChIKey: LBSFSRMTJJPTCW-DSXUQNDKSA-NInChI: InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1
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NITD 008,抗黄病毒CAS号 : 1044589-82-3 Compound CID : 44633776分子式: C13H14N4O4 分子量: 290.27IUPAC Name: (2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diolSMILES: C#CC1(C(C(OC1N2C=CC3=C(N=CN=C32)N)CO)O)OInChIKey: NKRAIOQPSBRMOV-NRMKKVEVSA-NInChI: InChI=1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
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FR 180204,ERK抑制剂CAS号 : 865362-74-9 Compound CID : 11493598分子式: C18H13N7 分子量: 327.34IUPAC Name: 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amineSMILES: C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=CC5=C(NN=C5N=N4)NInChIKey: XVECMUKVOMUNLE-UHFFFAOYSA-NInChI: InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
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CelgosivirCAS号 : 121104-96-9 Compound CID : 60734分子式: C12H21NO5 分子量: 259.3IUPAC Name: [(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoateSMILES: CCCC(=O)OC1CN2CCC(C2C(C1O)O)OInChIKey: HTJGLYIJVSDQAE-VWNXEWBOSA-NInChI: InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1
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麦考酚酸钠CAS号 : 37415-62-6 Compound CID : 23665584分子式: C17H19NaO6 分子量: 342.32IUPAC Name: sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoateSMILES: CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)[O-])O.[Na+]InChIKey: DOZYTHNHLLSNIK-JOKMOOFLSA-MInChI: InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;
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HZ-1157CAS号 : 1009734-33-1 Compound CID : 24778294分子式: C12H16N4O 分子量: 232.28IUPAC Name: 5-[(2-methylpropan-2-yl)oxy]quinazoline-2,4-diamineSMILES: CC(C)(C)OC1=CC=CC2=C1C(=NC(=N2)N)NInChIKey: JQHKDYFLRJIBLX-UHFFFAOYSA-NInChI: InChI=1S/C12H16N4O/c1-12(2,3)17-8-6-4-5-7-9(8)10(13)16-11(14)15-7/h4-6H,1-3H3,(H4,13,14,15,16)