HBV
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Inarigivir soproxilCAS号 : 942123-43-5 Compound CID : 24737742分子式: C25H34N7O13PS 分子量: 703.62IUPAC Name: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxyphosphoryl]sulfanylmethyl propan-2-yl carbonateSMILES: CC(C)OC(=O)OCSP(=O)(OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)O)OC4C(OC(C4OC)N5C=CC(=O)NC5=O)COInChIKey: CJCYTUJOSMYXLE-JDLSZIHUSA-NInChI: InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1
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JNJ-632CAS号 : 1572510-42-9 Compound CID : 73389570分子式: C18H19FN2O4S 分子量: 378.42IUPAC Name: N-(4-fluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamideSMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CCOC3)FInChIKey: JIZGLOVJKCSHTH-HNNXBMFYSA-NInChI: InChI=1S/C18H19FN2O4S/c1-12-9-14(5-6-17(12)19)20-18(22)13-3-2-4-16(10-13)26(23,24)21-15-7-8-25-11-15/h2-6,9-10,15,21H,7-8,11H2,1H3,(H,20,22)/t15-/m0/s1
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MerimepodibCAS号 : 198821-22-6 Compound CID : 153241分子式: C23H24N4O6 分子量: 452.46IUPAC Name: [(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamateSMILES: COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)OC3CCOC3)C4=CN=CO4InChIKey: JBPUGFODGPKTDW-SFHVURJKSA-NInChI: InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
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贝西福韦CAS号 : 441785-25-7 Compound CID : 5270766分子式: C10H14N5O4P 分子量: 299.23IUPAC Name: [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acidSMILES: C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)OInChIKey: KDNSSKPZBDNJDF-UHFFFAOYSA-NInChI: InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
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NVR 3-778CAS号 : 1445790-55-5 Compound CID : 89663273分子式: C18H16F4N2O4S 分子量: 432.4IUPAC Name: 4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamideSMILES: C1CN(CCC1O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C(=C3)F)F)F)FInChIKey: KKMFSVNFPUPGCA-UHFFFAOYSA-NInChI: InChI=1S/C18H16F4N2O4S/c19-13-2-1-10(18(26)23-11-8-14(20)17(22)15(21)9-11)7-16(13)29(27,28)24-5-3-12(25)4-6-24/h1-2,7-9,12,25H,3-6H2,(H,23,26)
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5-(3-(呋喃-2-甲酰胺基)苯甲酰氨基)-2-羟基苯甲酸CAS号 : 887686-02-4 Compound CID : 6496840分子式: C19H14N2O6 分子量: 366.32IUPAC Name: 5-[[3-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acidSMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=CC(=C(C=C3)O)C(=O)OInChIKey: HTJWLEGCECXGSQ-UHFFFAOYSA-NInChI: InChI=1S/C19H14N2O6/c22-15-7-6-13(10-14(15)19(25)26)20-17(23)11-3-1-4-12(9-11)21-18(24)16-5-2-8-27-16/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
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异绿原酸CCAS号 : 57378-72-0 Compound CID : 6474309分子式: C25H24O12 分子量: 516.45IUPAC Name: (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acidSMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OInChIKey: UFCLZKMFXSILNL-RVXRWRFUSA-NInChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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安石榴苷(异构体混合物)CAS号 : 65995-63-3 Compound CID : 44584733分子式: C48H28O30 分子量: 1084.72IUPAC Name: (1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexoneSMILES: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)OInChIKey: ZJVUMAFASBFUBG-UYMKNUMKSA-NInChI: InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1
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拉米夫定CAS号 : 134678-17-4 Compound CID : 60825分子式: C8H11N3O3S 分子量: 229.26IUPAC Name: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-oneSMILES: C1C(OC(S1)CO)N2C=CC(=NC2=O)NInChIKey: JTEGQNOMFQHVDC-NKWVEPMBSA-NInChI: InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
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BicyclolCAS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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Bay 41-4109 racemateCAS号 : 298708-79-9 Compound CID : 9865484分子式: C18H13ClF3N3O2 分子量: 395.76IUPAC Name: methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylateSMILES: CC1=C(C(N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)OCInChIKey: FVNJBPMQWSIGJK-UHFFFAOYSA-NInChI: InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)