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氨曲南CAS号: 78110-38-0 EC号: 278-839-9分子式: C13H17N5O8S2 分子量: 435.43IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acidSMILES: CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)NInChIKey: WZPBZJONDBGPKJ-VEHQQRBSSA-NInChI: 1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
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阿巴卡韦CAS号: 136470-78-5分子式: C14H18N6O 分子量: 286.33IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanolSMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)COInChIKey: MCGSCOLBFJQGHM-SCZZXKLOSA-NInChI: 1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
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7-氨基放线菌素D(7-AAD)CAS号: 7240-37-1分子式: C62H87N13O16 分子量: 1270.43IUPAC Name: See moreSMILES: CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)NInChIKey: YXHLJMWYDTXDHS-IRFLANFNSA-NInChI: See more
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N-乙酰神经氨酸分子式: C11H19NO9 分子量: 309.27IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidSMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OInChIKey: SQVRNKJHWKZAKO-PFQGKNLYSA-NInChI: 1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
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阿苯达唑CAS号: 54965-21-8 EC号: 259-414-7分子式: C12H15N3O2S 分子量: 265.33IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamateSMILES: CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OCInChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-NInChI: 1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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青蒿素CAS号: 63968-64-9分子式: C15H22O5 分子量: 282.33IUPAC Name: (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-oneSMILES: CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)CInChIKey: BLUAFEHZUWYNDE-NNWCWBAJSA-NInChI: 1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
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蒿甲醚CAS号: 71963-77-4分子式: C16H26O5 分子量: 298.38IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecaneSMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)CInChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-NInChI: 1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
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酪氨酸激酶抑制剂AG 1478CAS号: 153436-53-4分子式: C16H14ClN3O2 分子量: 315.75IUPAC Name: N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amineSMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OCInChIKey: GFNNBHLJANVSQV-UHFFFAOYSA-NInChI: 1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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