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1-(1-金刚烷基)乙基胺盐酸盐CAS号: 1501-84-4分子式: C12H21N.HCl 分子量: 215.77IUPAC Name: 1-(1-adamantyl)ethanamine;hydrochlorideSMILES: CC(C12CC3CC(C1)CC(C3)C2)N.ClInChIKey: OZBDFBJXRJWNAV-UHFFFAOYSA-NInChI: 1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H
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磷酸奥司他韦CAS号: 204255-11-8分子式: C16H28N2O4·H3PO4 分子量: 410.4IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;phosphoric acidSMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC.OP(=O)(O)OInChIKey: PGZUMBJQJWIWGJ-ONAKXNSWSA-NInChI: 1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1
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帕拉米韦三水合物CAS号: 1041434-82-5分子式: C15H28N4O4·3H2O 分子量: 382.45IUPAC Name: (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrateSMILES: CCC(CC)C(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C.O.O.OInChIKey: RFUCJKFZFXNIGB-ZBBHRWOZSA-NInChI: 1S/C15H28N4O4.3H2O/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23;;;/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19);3*1H2/t9-,10+,11+,12-,13+;;;/m0.../s1
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Scriptaid,HDAC抑制剂CAS号: 287383-59-9 Compound CID : 5186分子式: C18H18N2O4 分子量: 326.35IUPAC Name: 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamideSMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NOInChIKey: JTDYUFSDZATMKU-UHFFFAOYSA-NInChI: 1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
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甲氧苄氨嘧啶分子式: C14H18N4O3 分子量: 290.32IUPAC Name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineSMILES: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NInChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-NInChI: 1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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脱水穿心莲内酯琥珀酸半酯CAS号: 786593-06-4 Compound CID : 6540717分子式: C28H36O10 分子量: 532.58IUPAC Name: 4-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acidSMILES: CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)OInChIKey: YTHKMAIVPFVDNU-GPTWTFMPSA-NInChI: See more
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枸橼酸托法替尼 (CP-690550)CAS号: 540737-29-9分子式: C16H20N6O.C6H8O7 分子量: 504.49IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: SYIKUFDOYJFGBQ-YLAFAASESA-NInChI: See more
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2'-氟-2'-脱氧鸟苷CAS号: 78842-13-4分子式: C10H12FN5O4 分子量: 285.23IUPAC Name: 2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-oneSMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)F)N=C(NC2=O)NInChIKey: UXUZARPLRQRNNX-DXTOWSMRSA-NInChI: 1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,6-,9-/m1/s1
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吲哚美辛 (NSC-77541)分子式: C19H16ClNO4 分子量: 357.79IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acidSMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OInChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-NInChI: 1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
