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6 项目

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  1. 米替福新
    CAS号 : 58066-85-6        Compound CID : 3599
    分子式: C21H46NO4P        分子量: 407.568
    IUPAC Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
    SMILES: CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
    InChIKey: PQLXHQMOHUQAKB-UHFFFAOYSA-N
    InChI: InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
  2. 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
  3. 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
  4. 来他替尼
    CAS号 : 111358-88-4        Compound CID : 126565
    分子式: C26H21N3O4        分子量: 439.46
    IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
    SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
    InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N
    InChI: InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
  5. 米替福新
    CAS号 : 58066-85-6        Compound CID : 3599
    分子式: C21H46NO4P        分子量: 407.568
    IUPAC Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
    SMILES: CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
    InChIKey: PQLXHQMOHUQAKB-UHFFFAOYSA-N
    InChI: InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
  6. 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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