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  1. 加巴喷丁
    CAS号 : 60142-96-3        Compound CID : 3446
    分子式: C9H17NO2        分子量: 171.24
    IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid
    SMILES: C1CCC(CC1)(CC(=O)O)CN
    InChIKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
    InChI: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
  2. BAY-985
    CAS号 : 2409479-29-2        Compound CID : 145925685
    分子式: C27H30F3N9O        分子量: 553.58
    IUPAC Name: 1-[4-[(1R)-1-[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
    SMILES: CC(C1=CC(=NC=C1)NC2=NC3=C(N2)C=C(C=C3)C4=CC(=NC=N4)N(C)C)N5CCN(CC5)C(=O)CC(F)(F)F
    InChIKey: HZRJHVDNTDBTOZ-QGZVFWFLSA-N
    InChI: InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1
  3. L-肾上腺素
    CAS号 : 51-43-4        Compound CID : 5816
    分子式: C9H13NO3        分子量: 183.20
    IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
    SMILES: CNCC(C1=CC(=C(C=C1)O)O)O
    InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N
    InChI: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
  4. 加巴喷丁
    CAS号 : 60142-96-3        Compound CID : 3446
    分子式: C9H17NO2        分子量: 171.24
    IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid
    SMILES: C1CCC(CC1)(CC(=O)O)CN
    InChIKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
    InChI: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
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