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  1. 阿达帕林
    CAS号 : 106685-40-9        Compound CID : 60164
    分子式: C28H28O3        分子量: 412.52
    IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
    SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
    InChIKey: LZCDAPDGXCYOEH-UHFFFAOYSA-N
    InChI: InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
  2. AMG-900
    CAS号 : 945595-80-2        Compound CID : 24856041
    分子式: C28H21N7OS        分子量: 503.58
    IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine
    SMILES: CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N
    InChIKey: IVUGFMLRJOCGAS-UHFFFAOYSA-N
    InChI: InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)
  3. 蒿甲醚
    CAS号 : 71963-77-4        Compound CID : 68911
    分子式: C16H26O5        分子量: 298.38
    IUPAC 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]hexadecane
    SMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C
    InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N
    InChI: InChI=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
  4. 阿哌沙班
    CAS号 : 503612-47-3        Compound CID : 10182969
    分子式: C25H25N5O4        分子量: 459.51
    IUPAC Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
    SMILES: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
    InChIKey: QNZCBYKSOIHPEH-UHFFFAOYSA-N
    InChI: InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
  5. 腺嘌呤核苷
    CAS号 : 58-61-7        Compound CID : 60961
    分子式: C10H13N5O4        分子量: 267.24
    IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
    InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
    InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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