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  1. 异丁司特
    CAS号 : 50847-11-5        Compound CID : 3671
    分子式: C14H18N2O        分子量: 230.31
    IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
    SMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C
    InChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-N
    InChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
  2. 氯喹
    CAS号 : 54-05-7        Compound CID : 2719
    分子式: C18H26ClN3        分子量: 319.87
    IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
    SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
    InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N
    InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
  3. 异丁司特
    CAS号 : 50847-11-5        Compound CID : 3671
    分子式: C14H18N2O        分子量: 230.31
    IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
    SMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C
    InChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-N
    InChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
  4. 羟基氯喹
    CAS号 : 118-42-3        Compound CID : 3652
    分子式: C18H26ClN3O        分子量: 335.9
    IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
    SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
    InChIKey: XXSMGPRMXLTPCZ-UHFFFAOYSA-N
    InChI: InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
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