HBV
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克拉夫定CAS号 : 163252-36-6 Compound CID : 73115分子式: C10H13FN2O5 分子量: 260.22IUPAC Name: 1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dioneSMILES: CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)FInChIKey: GBBJCSTXCAQSSJ-XQXXSGGOSA-NInChI: InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1
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盐酸阿霉素CAS号 : 25316-40-9 Compound CID : 443939分子式: C27H29NO11·HCl 分子量: 579.98IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochlorideSMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.ClInChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-NInChI: InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1
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恩替卡韦 一水合物CAS号 : 209216-23-9 Compound CID : 135526609分子式: C12H15N5O3.H2O 分子量: 295.29IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrateSMILES: C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N.OInChIKey: YXPVEXCTPGULBZ-WQYNNSOESA-NInChI: InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1
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泛昔洛韦CAS号 : 104227-87-4 Compound CID : 3324分子式: C14H19N5O4 分子量: 321.33IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetateSMILES: CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)CInChIKey: GGXKWVWZWMLJEH-UHFFFAOYSA-NInChI: InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)
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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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异绿原酸A分子式: C25H24O12 分子量: 516.45IUPAC Name: (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acidSMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)OInChIKey: KRZBCHWVBQOTNZ-RDJMKVHDSA-NInChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
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阿德福韦CAS号 : 106941-25-7 Compound CID : 60172分子式: C8H12N5O4P 分子量: 273.19IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acidSMILES: C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)NInChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-NInChI: InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
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2-羟基-N-(4-羟基苯基)苯甲酰胺分子式: C13H11NO3 分子量: 229.238IUPAC Name: 2-hydroxy-N-(4-hydroxyphenyl)benzamideSMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)OInChIKey: LGCMKPRGGJRYGM-UHFFFAOYSA-NInChI: InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
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双环醇CAS号 : 118159-48-1 Compound CID : 9821754分子式: C19H18O9 分子量: 390.34IUPAC Name: methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylateSMILES: COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2InChIKey: KXMTXZACPVCDMH-UHFFFAOYSA-NInChI: InChI=1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3
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联苯双酯CAS号 : 73536-69-3 Compound CID : 108213分子式: C20H18O10 分子量: 418.4IUPAC Name: methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylateSMILES: COC1=C2C(=C(C(=C1)C(=O)OC)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2InChIKey: JMZOMFYRADAWOG-UHFFFAOYSA-NInChI: InChI=1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3
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2,3-二羟基-5-异丙基环庚烷-2,4,6-三烯酮CAS号 : 29346-20-1 Compound CID : 72605分子式: C10H12O3 分子量: 180.203IUPAC Name: 2,3-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-oneSMILES: CC(C)C1=CC(=O)C(=C(C=C1)O)OInChIKey: HVGNSPLLPQWYGC-UHFFFAOYSA-NInChI: InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
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