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病毒蛋白酶
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(E)-3-(3,4-二甲氧基苯基)丙烯酸CAS号: 14737-89-4分子式: C11H12O4 分子量: 208.21IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acidSMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OCInChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-NInChI: 1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
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N-去甲基氯氮平CAS号: 6104-71-8分子式: C17H17ClN4 分子量: 312.8IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-NInChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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乙酰水杨酸-d3CAS号: 921943-73-9分子式: C9H5D3O4 分子量: 183.18IUPAC Name: 2-(2,2,2-trideuterioacetyl)oxybenzoic acidSMILES: CC(=O)OC1=CC=CC=C1C(=O)OInChIKey: BSYNRYMUTXBXSQ-FIBGUPNXSA-NInChI: 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i1D3
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聚甲酚磺醛CAS号: 101418-00-2 Compound CID : 3050404分子式: (C8H10O5S)nIUPAC Name: 2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acidSMILES: CC1=CC(=C(C=C1CC2=CC(=C(C(=C2C)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)OInChIKey: ACZKMKGNTMOPBD-UHFFFAOYSA-NInChI: 1S/C23H24O12S3/c1-11-4-18(24)20(36(27,28)29)8-14(11)6-16-10-22(38(33,34)35)23(26)17(13(16)3)7-15-9-21(37(30,31)32)19(25)5-12(15)2/h4-5,8-10,24-26H,6-7H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)
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亮肽素CAS号: 103476-89-7 Compound CID : 2733491分子式: C20H38N6O4·1/2(H2SO4) 分子量: 475.59IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;sulfuric acidSMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.OS(=O)(=O)OInChIKey: CIPMKIHUGVGQTG-VFFZMTJFSA-NInChI: See more
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NH 125,CaMK III抑制剂CAS号: 278603-08-0 Compound CID : 10436839分子式: C27H45IN2 分子量: 524.56IUPAC Name: 1-benzyl-3-hexadecyl-2-methylimidazol-1-ium;iodideSMILES: CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]InChIKey: RVWOHCBHAGBLLT-UHFFFAOYSA-MInChI: 1S/C27H45N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27;/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3;1H/q+1;/p-1
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盐酸巴马汀CAS号: 10605-02-4 Compound CID : 73442分子式: C21H22ClNO4 分子量: 387.86IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chlorideSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.[Cl-]InChIKey: RLQYRXCUPVKSAW-UHFFFAOYSA-MInChI: 1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1
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G10,STING 信号激活剂CAS号: 702662-50-8分子式: C21H16ClFN2O3S 分子量: 430.88IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamideSMILES: C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)FInChIKey: NAGKYJATVFXZKN-UHFFFAOYSA-NInChI: 1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)
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芦平曲韦CAS号: 223537-30-2 Compound CID : 6440352分子式: C31H39FN4O7 分子量: 598.66IUPAC Name: ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoateSMILES: CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC2=CC=C(C=C2)F)CC(=O)C(C(C)C)NC(=O)C3=NOC(=C3)CInChIKey: CAYJBRBGZBCZKO-BHGBQCOSSA-NInChI: See more
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PF-429242 二盐酸盐CAS号: 2248666-66-0 Compound CID : 90488837分子式: C25H35N3O2.2HCl 分子量: 482.49IUPAC Name: 4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;dihydrochlorideSMILES: CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)C3CCNC3.Cl.ClInChIKey: GSUZWFZKTIOWTI-MQWQBNKOSA-NInChI: 1S/C25H35N3O2.2ClH/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3;;/h6-13,23,26H,4-5,14-19H2,1-3H3;2*1H/t23-;;/m1../s1
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NGI 1,寡糖基转移酶（OST）抑制剂CAS号: 790702-57-7分子式: C17H22N4O3S2 分子量: 394.51IUPAC Name: 5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamideSMILES: CC1=CN=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3InChIKey: QPKGRLIYJGBKJL-UHFFFAOYSA-NInChI: 1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
