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6 项目

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  1. 罗格列酮
    CAS号: 122320-73-4        Compound CID : 77999
    分子式: C18H19N3O3S        分子量: 357.43
    IUPAC Name: 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
    SMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3
    InChIKey: YASAKCUCGLMORW-UHFFFAOYSA-N
    InChI: 1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
  2. S-[4-[(4-硝基苄基)氧代]苯乙基]异硫脲甲磺酸盐
    CAS号: 182004-65-5        Compound CID : 9823846
    分子式: C16H17N3O3S·CH4O3S        分子量: 427.49
    IUPAC Name: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
    SMILES: CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
    InChIKey: WGIKEBHIKKWJLG-UHFFFAOYSA-N
    InChI: 1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
  3. EPZ020411
    CAS号: 1700663-41-7        Compound CID : 91668547
    分子式: C25H38N4O3        分子量: 442.6
    IUPAC Name: N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
    SMILES: CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4
    InChIKey: QMDKVNSQXPVCRD-UHFFFAOYSA-N
    InChI: 1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)
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