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  1. 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)
  2. 氟伏沙明
    CAS号 : 54739-18-3        Compound CID : 5324346
    分子式: C15H21F3N2O2        分子量: 318.33
    IUPAC Name: 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
    SMILES: COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F
    InChIKey: CJOFXWAVKWHTFT-XSFVSMFZSA-N
    InChI: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
  3. S1RA
    CAS号 : 878141-96-9        Compound CID : 44247568
    分子式: C20H23N3O2        分子量: 337.42
    IUPAC Name: 4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
    SMILES: CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
    InChIKey: DGPGXHRHNRYVDH-UHFFFAOYSA-N
    InChI: InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
  4. S1RA
    CAS号 : 878141-96-9        Compound CID : 44247568
    分子式: C20H23N3O2        分子量: 337.42
    IUPAC Name: 4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
    SMILES: CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
    InChIKey: DGPGXHRHNRYVDH-UHFFFAOYSA-N
    InChI: InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
  5. 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)
  6. K777
    CAS号 : 233277-99-1        Compound CID : 9851116
    分子式: C32H38N4O4S        分子量: 574.73
    IUPAC Name: N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide
    SMILES: CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=CC=C4
    InChIKey: RHJLQMVZXQKJKB-FPHSVDBKSA-N
    InChI: InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m0/s1
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