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  1. 沃替西汀
    CAS号 : 508233-74-7        Compound CID : 9966051
    分子式: C18H22N2S        分子量: 298.45
    IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
    SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C
    InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N
    InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
  2. BRL-15572,h5-HT1D拮抗剂
    CAS号 : 193611-72-2        Compound CID : 9891303
    分子式: C25H27ClN2O·2HCl        分子量: 479.87
    IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol;dihydrochloride
    SMILES: C1CN(CCN1CC(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC(=CC=C4)Cl.Cl.Cl
    InChIKey: WPEXRXMQMPOHIO-UHFFFAOYSA-N
    InChI: InChI=1S/C25H27ClN2O.2ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-13,18,24-25,29H,14-17,19H2;2*1H
  3. 苯烯莫德
    CAS号 : 79338-84-4       
    分子式: C17H18O2        分子量: 254.32
    IUPAC Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
    SMILES: CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
    InChIKey: ZISJNXNHJRQYJO-CMDGGOBGSA-N
    InChI: InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
  4. 塔皮纳洛夫
    CAS号 : 79338-84-4       
    分子式: C17H18O2        分子量: 254.32
    IUPAC Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
    SMILES: CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
    InChIKey: ZISJNXNHJRQYJO-CMDGGOBGSA-N
    InChI: InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
  5. Vortioxetine
    CAS号 : 508233-74-7        Compound CID : 9966051
    分子式: C18H22N2S        分子量: 298.45
    IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
    SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C
    InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N
    InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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