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WHO基本药物配体
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甲基泼尼松龙标准溶液分子式: C22H30O5 分子量: 374.47IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-oneSMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OInChIKey: VHRSUDSXCMQTMA-PJHHCJLFSA-NInChI: 1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
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米索前列醇CAS号: 59122-46-2分子式: C22H38O5 分子量: 382.53IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoateSMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)OInChIKey: OJLOPKGSLYJEMD-URPKTTJQSA-NInChI: 1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1
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6-巯基嘌呤 (6-MP)CAS号: 50-44-2分子式: C5H4N4S 分子量: 152.18IUPAC Name: 3,7-dihydropurine-6-thioneSMILES: C1=NC2=C(N1)C(=S)N=CN2InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-NInChI: 1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
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呋喃妥因分子式: C8H6N4O5 分子量: 238.16IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dioneSMILES: C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]InChIKey: NXFQHRVNIOXGAQ-YCRREMRBSA-NInChI: 1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
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氯硝柳胺CAS号: 50-65-7 EC号: 200-056-8, 215-811-7分子式: C13H8Cl2N2O4 分子量: 327.12IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OInChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-NInChI: 1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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尼罗替尼 (AMN-107)CAS号: 641571-10-0分子式: C28H22F3N7O 分子量: 529.53IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamideSMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-NInChI: 1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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氯硝柳胺CAS号: 50-65-7 EC号: 200-056-8, 215-811-7分子式: C13H8Cl2N2O4 分子量: 327.12IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OInChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-NInChI: 1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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米替福新CAS号: 58066-85-6分子式: C21H46NO4P 分子量: 407.57IUPAC Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphateSMILES: CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)CInChIKey: PQLXHQMOHUQAKB-UHFFFAOYSA-NInChI: 1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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氧氟沙星CAS号: 82419-36-1分子式: C18H20FN3O4 分子量: 361.37IUPAC Name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acidSMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)OInChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-NInChI: 1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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奥司他韦CAS号: 196618-13-0分子式: C16H28N2O4 分子量: 312.4IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylateSMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCCInChIKey: VSZGPKBBMSAYNT-RRFJBIMHSA-NInChI: 1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
