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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. I-BET762,的BRD抑制剂
    CAS号 : 1260907-17-2        Compound CID : 46943432
    分子式: C22H22ClN5O2        分子量: 423.9
    IUPAC Name: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
    SMILES: CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
    InChIKey: AAAQFGUYHFJNHI-SFHVURJKSA-N
    InChI: InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
  3. 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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